[CP2K-user] [CP2K:20434] Problem with cp_eri_mme_interface.F in cp2k v2024.1
Jordan Hale
jordanhale2017 at gmail.com
Tue Jul 9 20:31:39 UTC 2024
Hello,
I'm trying to compile the latest version of cp2k (v2024.1), but there seems
to be an issue with the derived type near line 83 of
cp_eri_mme_interface.F, at least that's what I'm assuming from rummaging
through /src. I saw the comment about the bug with older compilers that
prevents a default initialization of derived types, but I'm compiling with
gcc-10.3.0 and openmpi-4.1.4, so I didn't think that would be an issue. Is
this an issue anyone has run into before? Hopefully with a known fix or
someone can point out something obvious I'm missing.
Best,
Jordan Hale
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"
Discovering programs ...
Makefile:134: warning: overriding recipe for target `popt'
Makefile:128: warning: ignoring old recipe for target `popt'
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/Makefile:134: warning: overriding recipe for target `popt'
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/Makefile:128: warning: ignoring old recipe for target `popt'
Version sopt is now an alias for ssmp with OMP_NUM_THREADS=1.
Version popt is now an alias for psmp with OMP_NUM_THREADS=1.
make -C /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/dbcsr -f /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/build_dbcsr/Makefile \
ARCHFILE=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/arch/local.ssmp \
LIBDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/lib/local/ssmp/exts/dbcsr \
OBJDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/dbcsr -f /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/build_dbcsr/Makefile \
ARCHFILE=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/arch/local.ssmp \
LIBDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/lib/local/ssmp/exts/dbcsr \
OBJDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/dbcsr -f /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/build_dbcsr/Makefile \
ARCHFILE=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/arch/local.psmp \
LIBDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/lib/local/psmp/exts/dbcsr \
OBJDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
make -C /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/dbcsr -f /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/exts/build_dbcsr/Makefile \
ARCHFILE=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/arch/local.psmp \
LIBDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/lib/local/psmp/exts/dbcsr \
OBJDIR=/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr \
USE_ACCEL="" \
ACC="" \
ACCFLAGS=""
Removing stale archives for ssmp ...
Removing stale archives for ssmp ...
Removing stale archives for psmp ...
Removing stale archives for psmp ...
Removing stale archives ...
Removing stale archives ...
Removing stale archives ...
Removing stale archives ...
Resolving dependencies for psmp ...
Resolving dependencies for psmp ...
Resolving dependencies for ssmp ...
Resolving dependencies for ssmp ...
Resolving dependencies ...
Resolving dependencies ...
Resolving dependencies ...
Resolving dependencies ...
echo git:b4a17a5 > "/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/git-ref.tmp"
echo git:b4a17a5 > "/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/git-ref.tmp"
echo git:b4a17a5 > "/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/git-ref.tmp"
echo git:b4a17a5 > "/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/git-ref.tmp"
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/tools/build_utils/fypp -n --line-marker-format=gfortran5 /storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90
/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/include -pthread -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__SPGLIB -D__LIBVORI -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr' semi_empirical_integrals.F90
/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/include -pthread -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__SPGLIB -D__LIBVORI -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr' semi_empirical_integrals.F90
/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/include -pthread -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__SPGLIB -D__LIBVORI -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr' cp_eri_mme_interface.F90
/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/bin/mpifort -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -I/usr/local/pace-apps/manual/packages/openmpi/4.1.4/gcc-10.3.0/include -pthread -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/modules' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/elpa-2023.05.001/cpu/include/elpa_openmp-2023.05.001/elpa' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__parallel -D__MPI_F08 -D__MKL -D__FFTW3 -D__SCALAPACK -D__LIBINT -D__LIBXC -D__LIBGRPP -D__COSMA -D__ELPA -D__SPGLIB -D__LIBVORI -fallow-argument-mismatch -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/psmp/exts/dbcsr' cp_eri_mme_interface.F90
/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/gcc-10.3.0-o57x6h2gubo7bzh7evmy4mvibdqrlghr/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SPGLIB -D__LIBVORI -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr' cp_eri_mme_interface.F90
/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/gcc-10.3.0-o57x6h2gubo7bzh7evmy4mvibdqrlghr/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SPGLIB -D__LIBVORI -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr' cp_eri_mme_interface.F90
/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/gcc-10.3.0-o57x6h2gubo7bzh7evmy4mvibdqrlghr/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SPGLIB -D__LIBVORI -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:51 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr' se_fock_matrix_integrals.F90
/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/gcc-10.3.0-o57x6h2gubo7bzh7evmy4mvibdqrlghr/bin/gfortran -c -fno-omit-frame-pointer -fopenmp -g -mtune=native -O3 -funroll-loops -m64 -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include -I/usr/local/pace-apps/spack/packages/linux-rhel7-x86_64/gcc-4.8.5/intel-parallel-studio-cluster.2020.4-5mxdw276vo2p6wtdkoaghj5h2zkmozjt/compilers_and_libraries_2020.4.304/linux/mkl/include/fftw -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxc-6.2.2/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libgrpp-main-20231215/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/libxsmm-1.17/include' -I'/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/COSMA-2.6.6/include' -I/storage/home/hcoda1/1/jhale48/p-jkretchmer3-0/cp2k-2024.1/tools/toolchain/install/spglib-1.16.2/include -fbacktrace -ffree-form -fimplicit-none -std=f2008 -Werror=aliasing -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized -Wuse-without-only -D__LIBXSMM -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBGRPP -D__SPGLIB -D__LIBVORI -D__COMPILE_ARCH="\"local\"" -D__COMPILE_DATE="\"Tue Jul 9 16:09:52 EDT 2024\"" -D__COMPILE_HOST="\"login-phoenix-slurm-1.pace.gatech.edu\"" -D__COMPILE_REVISION="\"git:b4a17a5\"" -D__DATA_DIR="\"/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/data\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/' -I'/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/obj/local/ssmp/exts/dbcsr' se_fock_matrix_integrals.F90
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:
25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,&
| 1
Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:284:34:
284 | CALL eri_mme_init(param%par, n_minimax, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:311:26:
311 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:332:37:
332 | CALL eri_mme_release(param%par)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:405:29:
405 | IF (.NOT. param%par%is_valid) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:406:22:
406 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:409:34:
409 | IF (ALL(ABS(param%par%hmat - hmat) < eps_changed) .AND. &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:413:25:
413 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:407:13:
407 | ELSE
| 1
......
414 | ELSE
| 2
Error: Duplicate ELSE statements at (1) and (2)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:415:25:
415 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:417:12:
417 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:418:10:
418 | ELSE
| 1
Error: Unexpected ELSE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:419:19:
419 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:420:9:
420 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:422:40:
422 | CALL eri_mme_set_params(param%par, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:
25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,&
| 1
Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:541:26:
541 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:544:32:
544 | SELECT CASE (param%par%potential)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:545:14:
545 | CASE (eri_mme_coulomb)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:547:14:
547 | CASE (eri_mme_yukawa)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:548:95:
548 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: Yukawa with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:549:14:
549 | CASE (eri_mme_longrange)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:550:107:
550 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: long-range Coulomb with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:551:12:
551 | END SELECT
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:555:95:
555 | WRITE (unit_nr, '(/T2, A, T71, F10.1)') "ERI_MME| Cutoff for ERIs [a.u.]:", param%par%cutoff
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:556:111:
556 | WRITE (unit_nr, '(/T2, A, T78, I3/)') "ERI_MME| Number of terms in minimax approximation:", param%par%n_minimax
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:558:20:
558 | IF (param%par%is_ortho) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:560:26:
560 | IF (param%par%do_error_est) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:562:93:
562 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Minimax error:", param%par%err_mm
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:563:92:
563 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Cutoff error:", param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:564:108:
564 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Total error (minimax + cutoff):", param%par%err_mm + param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:566:26:
566 | IF (param%par%print_calib) &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:568:12:
568 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:569:9:
569 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:572:33:
572 | DO igrid = 1, param%par%n_grids
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:573:51:
573 | CALL eri_mme_print_grid_info(param%par%minimax_grid(igrid), igrid, unit_nr)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:574:12:
574 | END DO
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:284:34:
284 | CALL eri_mme_init(param%par, n_minimax, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:311:26:
311 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:841:59:
841 | IF (test_2c) CALL eri_mme_2c_perf_acc_test(param%par, l_max, zet, rabc, nrep, test_accuracy, para_env, iw, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:843:59:
843 | IF (test_3c) CALL eri_mme_3c_perf_acc_test(param%par, l_max, zet, rabc, nrep, nsample, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:332:37:
332 | CALL eri_mme_release(param%par)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:405:29:
405 | IF (.NOT. param%par%is_valid) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:406:22:
406 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:409:34:
409 | IF (ALL(ABS(param%par%hmat - hmat) < eps_changed) .AND. &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:413:25:
413 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:407:13:
407 | ELSE
| 1
......
414 | ELSE
| 2
Error: Duplicate ELSE statements at (1) and (2)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:415:25:
415 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:417:12:
417 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:418:10:
418 | ELSE
| 1
Error: Unexpected ELSE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:419:19:
419 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:420:9:
420 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:422:40:
422 | CALL eri_mme_set_params(param%par, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:541:26:
541 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:544:32:
544 | SELECT CASE (param%par%potential)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:545:14:
545 | CASE (eri_mme_coulomb)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:547:14:
547 | CASE (eri_mme_yukawa)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:548:95:
548 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: Yukawa with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:549:14:
549 | CASE (eri_mme_longrange)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:550:107:
550 | t_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: long-range Coulomb with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:551:12:
551 | END SELECT
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:555:95:
555 | WRITE (unit_nr, '(/T2, A, T71, F10.1)') "ERI_MME| Cutoff for ERIs [a.u.]:", param%par%cutoff
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:556:111:
556 | T2, A, T78, I3/)') "ERI_MME| Number of terms in minimax approximation:", param%par%n_minimax
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:558:20:
558 | IF (param%par%is_ortho) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:560:26:
560 | IF (param%par%do_error_est) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:562:93:
562 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Minimax error:", param%par%err_mm
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:563:92:
563 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Cutoff error:", param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:564:108:
564 | r, '(T2, A, T72, ES9.2)') "ERI_MME| Total error (minimax + cutoff):", param%par%err_mm + param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:566:26:
566 | IF (param%par%print_calib) &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:568:12:
568 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:569:9:
569 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:572:33:
572 | DO igrid = 1, param%par%n_grids
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:573:51:
573 | CALL eri_mme_print_grid_info(param%par%minimax_grid(igrid), igrid, unit_nr)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:574:12:
574 | END DO
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:841:59:
841 | IF (test_2c) CALL eri_mme_2c_perf_acc_test(param%par, l_max, zet, rabc, nrep, test_accuracy, para_env, iw, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:843:59:
843 | IF (test_3c) CALL eri_mme_3c_perf_acc_test(param%par, l_max, zet, rabc, nrep, nsample, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:
25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,&
| 1
Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:284:34:
284 | CALL eri_mme_init(param%par, n_minimax, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:25:7:
25 | USE eri_mme_test, ONLY: eri_mme_2c_perf_acc_test,&
| 1
Error: The rank of the element in the structure constructor at (1) does not match that of the component (0/1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:311:26:
311 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:332:37:
332 | CALL eri_mme_release(param%par)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:405:29:
405 | IF (.NOT. param%par%is_valid) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:406:22:
406 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:409:34:
409 | IF (ALL(ABS(param%par%hmat - hmat) < eps_changed) .AND. &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:413:25:
413 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:407:13:
407 | ELSE
| 1
......
414 | ELSE
| 2
Error: Duplicate ELSE statements at (1) and (2)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:415:25:
415 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:417:12:
417 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:418:10:
418 | ELSE
| 1
Error: Unexpected ELSE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:419:19:
419 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:420:9:
420 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:422:40:
422 | CALL eri_mme_set_params(param%par, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:284:34:
284 | CALL eri_mme_init(param%par, n_minimax, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:311:26:
311 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:332:37:
332 | CALL eri_mme_release(param%par)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:541:26:
541 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:544:32:
544 | SELECT CASE (param%par%potential)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:545:14:
545 | CASE (eri_mme_coulomb)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:547:14:
547 | CASE (eri_mme_yukawa)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:548:95:
548 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: Yukawa with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:549:14:
549 | CASE (eri_mme_longrange)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:550:107:
550 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: long-range Coulomb with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:405:29:
405 | IF (.NOT. param%par%is_valid) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:551:12:
551 | END SELECT
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:406:22:
406 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:555:95:
555 | WRITE (unit_nr, '(/T2, A, T71, F10.1)') "ERI_MME| Cutoff for ERIs [a.u.]:", param%par%cutoff
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:409:34:
409 | IF (ALL(ABS(param%par%hmat - hmat) < eps_changed) .AND. &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:556:111:
556 | WRITE (unit_nr, '(/T2, A, T78, I3/)') "ERI_MME| Number of terms in minimax approximation:", param%par%n_minimax
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:413:25:
413 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:558:20:
558 | IF (param%par%is_ortho) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:407:13:
407 | ELSE
| 1
......
414 | ELSE
| 2
Error: Duplicate ELSE statements at (1) and (2)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:560:26:
560 | IF (param%par%do_error_est) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:415:25:
415 | param%par%do_calib_cutoff = .TRUE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:417:12:
417 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:562:93:
562 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Minimax error:", param%par%err_mm
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:418:10:
418 | ELSE
| 1
Error: Unexpected ELSE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:563:92:
563 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Cutoff error:", param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:419:19:
419 | param%par%do_calib_cutoff = .FALSE.
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:564:108:
564 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Total error (minimax + cutoff):", param%par%err_mm + param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:420:9:
420 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:422:40:
422 | CALL eri_mme_set_params(param%par, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:566:26:
566 | IF (param%par%print_calib) &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:568:12:
568 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:569:9:
569 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:572:33:
572 | DO igrid = 1, param%par%n_grids
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:573:51:
573 | CALL eri_mme_print_grid_info(param%par%minimax_grid(igrid), igrid, unit_nr)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:574:12:
574 | END DO
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:541:26:
541 | unit_nr = param%par%unit_nr
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:544:32:
544 | SELECT CASE (param%par%potential)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:545:14:
545 | CASE (eri_mme_coulomb)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:547:14:
547 | CASE (eri_mme_yukawa)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:548:95:
548 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: Yukawa with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:549:14:
549 | CASE (eri_mme_longrange)
| 1
Error: Unexpected CASE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:550:107:
550 | WRITE (unit_nr, '(/T2, A, ES9.2)') "ERI_MME| Potential: long-range Coulomb with a=", param%par%pot_par
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:551:12:
551 | END SELECT
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:555:95:
555 | WRITE (unit_nr, '(/T2, A, T71, F10.1)') "ERI_MME| Cutoff for ERIs [a.u.]:", param%par%cutoff
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:556:111:
556 | WRITE (unit_nr, '(/T2, A, T78, I3/)') "ERI_MME| Number of terms in minimax approximation:", param%par%n_minimax
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:558:20:
558 | IF (param%par%is_ortho) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:560:26:
560 | IF (param%par%do_error_est) THEN
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:562:93:
562 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Minimax error:", param%par%err_mm
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:563:92:
563 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Cutoff error:", param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:564:108:
564 | WRITE (unit_nr, '(T2, A, T72, ES9.2)') "ERI_MME| Total error (minimax + cutoff):", param%par%err_mm + param%par%err_c
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:566:26:
566 | IF (param%par%print_calib) &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:568:12:
568 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:569:9:
569 | END IF
| 1
Error: Expecting END SUBROUTINE statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:572:33:
572 | DO igrid = 1, param%par%n_grids
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:573:51:
573 | CALL eri_mme_print_grid_info(param%par%minimax_grid(igrid), igrid, unit_nr)
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:574:12:
574 | END DO
| 1
Error: Expecting END IF statement at (1)
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:841:59:
841 | IF (test_2c) CALL eri_mme_2c_perf_acc_test(param%par, l_max, zet, rabc, nrep, test_accuracy, para_env, iw, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:843:59:
843 | IF (test_3c) CALL eri_mme_3c_perf_acc_test(param%par, l_max, zet, rabc, nrep, nsample, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:841:59:
841 | IF (test_2c) CALL eri_mme_2c_perf_acc_test(param%par, l_max, zet, rabc, nrep, test_accuracy, para_env, iw, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
/storage/coda1/p-jkretchmer3/0/jhale48/cp2k-2024.1/src/cp_eri_mme_interface.F:843:59:
843 | IF (test_3c) CALL eri_mme_3c_perf_acc_test(param%par, l_max, zet, rabc, nrep, nsample, &
| 1
Error: 'par' at (1) is not a member of the 'cp_eri_mme_param' structure
make[3]: *** [cp_eri_mme_interface.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[3]: *** [cp_eri_mme_interface.o] Error 1
make[3]: *** Waiting for unfinished jobs....
f951: Fatal Error: Cannot rename module file 'se_fock_matrix_integrals.mod0' to 'se_fock_matrix_integrals.mod': No such file or directory
compilation terminated.
make[3]: *** [cp_eri_mme_interface.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[3]: *** [cp_eri_mme_interface.o] Error 1
make[3]: *** Waiting for unfinished jobs....
make[3]: *** [se_fock_matrix_integrals.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [sopt] Error 2
make[1]: *** Waiting for unfinished jobs....
f951: Fatal Error: Cannot rename module file 'semi_empirical_integrals.mod0' to 'semi_empirical_integrals.mod': No such file or directory
compilation terminated.
make[3]: *** [semi_empirical_integrals.o] Error 1
make[2]: *** [all] Error 2
make[1]: *** [psmp] Error 2
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make[2]: *** [all] Error 2
make[1]: *** [ssmp] Error 2
make: *** [all] Error 2
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