Dear developers,<div><br></div><div>I am trying to compile cp2k using the ARCH=Linux-x86-64-intel-minimal.psmp (vanilla/no change) and intel compiler (intel v.19.1.2.254).</div><div><br></div><div>This is  my cpu model: Intel(R) Xeon(R) CPU E5-2698 v3 @ 2.30GHz</div><div><br></div><div>During the compilation, I obtained the following error:</div><p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/fm/cp_fm_types.F cp_fm_types.F90</p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/minimax/minimax_exp.F minimax_exp.F90</p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:33:43 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/fm/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' cp_fm_types.F90 </p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:33:43 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/minimax/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' minimax_exp.F90 </p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/memory_utilities_unittest.psmp: No such file or directory</p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:130: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/memory_utilities_unittest.psmp] Error 1</p>
<p>make[3]: *** Waiting for unfinished jobs....</p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/graph.psmp: No such file or directory</p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:134: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/graph.psmp] Error 1</p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/parallel_rng_types_unittest.psmp: No such file or directory</p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:126: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/parallel_rng_types_unittest.psmp] Error 1</p>
<p>make[2]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/Makefile:158: all] Error 2</p>
<p>make[1]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/Makefile:140: psmp] Error 2</p>
<div>make: *** [Makefile:135: all] Error 2</div><div><br></div><div>After re-running the makefile, I get the following error:</div><div><p>echo git:d8d7100 > "/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/git-ref.tmp"</p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90</p>
<p>Updating archive /lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp/libcp2kminimax.a</p>
<p>mpiifort -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -static-intel -static_mpi  -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp -o /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/memory_utilities_unittest.psmp memory_utilities_unittest.o  -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr -ldbcsr /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_sequential.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_core.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group</p>
<p>ar: creating /lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp/libcp2kminimax.a</p>
<p>mpiifort -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -static-intel -static_mpi  -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp -o /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o  -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr -ldbcsr /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_sequential.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_core.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group</p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/pw/pw_grid_info.F pw_grid_info.F90</p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/input/input_section_types.F input_section_types.F90</p>
<p>mpiifort -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -static-intel -static_mpi  -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp -o /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/graph.psmp graph.o  -lcp2kmetadyn_tools -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -L/lus/swift/home/yanxonh/software_theta/cp2k-9.1/lib/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr -ldbcsr /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_scalapack_lp64.a -Wl,--start-group /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_intel_lp64.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_sequential.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_core.a /opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/lib/intel64/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group</p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/pw/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' pw_grid_info.F90 </p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/eri_mme/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' eri_mme_gaussian.F90 </p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/input/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' input_section_types.F90 </p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/preconditioner_types.F preconditioner_types.F90</p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' preconditioner_types.F90 </p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/et_coupling_types.F et_coupling_types.F90</p>
<p>/lus/swift/home/yanxonh/software_theta/cp2k-9.1/tools/build_utils/fypp -n /lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/qs_diis_types.F qs_diis_types.F90</p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/graph.psmp: No such file or directory</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/memory_utilities_unittest.psmp: No such file or directory</p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:48 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' et_coupling_types.F90 </p>
<p>mpiifort -c -O2 -fopenmp -fp-model precise -funroll-loops -g -qopenmp-simd -traceback -xHost -D__FFTW3 -D__MAX_CONTR=4 -D__MKL -D__MPI_VERSION=3 -D__parallel -D__SCALAPACK -diag-disable=8291 -diag-disable=8293 -fpp -free -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include -I/opt/intel/compilers_and_libraries_2020.0.166/linux/mkl/include/fftw -D__COMPILE_ARCH="\"Linux-x86-64-intel-minimal_copy\"" -D__COMPILE_DATE="\"Thu Nov  3 19:50:49 UTC 2022\"" -D__COMPILE_HOST="\"thetalogin6\"" -D__COMPILE_REVISION="\"git:d8d7100\"" -D__DATA_DIR="\"/lus/swift/home/yanxonh/software_theta/cp2k-9.1/data\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/src/' -I'/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/exts/dbcsr' qs_diis_types.F90 </p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:130: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/memory_utilities_unittest.psmp] Error 1</p>
<p>make[3]: *** Waiting for unfinished jobs....</p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:134: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/graph.psmp] Error 1</p>
<p>/usr/bin/ld: cannot find -lfabric</p>
<p>/usr/bin/sha1sum: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/parallel_rng_types_unittest.psmp: No such file or directory</p>
<p>make[3]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/obj/Linux-x86-64-intel-minimal_copy/psmp/all.dep:126: /lus/swift/home/yanxonh/software_theta/cp2k-9.1/exe/Linux-x86-64-intel-minimal_copy/parallel_rng_types_unittest.psmp] Error 1</p>
<p>make[2]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/Makefile:158: all] Error 2</p>
<p>make[1]: *** [/lus/swift/home/yanxonh/software_theta/cp2k-9.1/Makefile:140: psmp] Error 2</p>
<p>make: *** [Makefile:135: all] Error 2</p>
</div><div>I really appreciate for the help.</div><div><br></div><div>Regards,</div><div><br></div><div>Howard</div><div><br></div><div><br></div>

<p></p>

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