[CP2K-user] Error in Compilation ARCH files

Pradip Si pradip... at gmail.com
Tue Nov 27 10:16:01 UTC 2018


Dear all,
             I'm trying to install *cp2k 6.1*, I followed the instructions 
on the documentation, however I am still having this error. I also added 
the ARCH file that is edited by me -which is the source of the problem I 
think.


Any help is appreciated,
Thanks in advance
Pradip
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[cmm05 at localhost makefiles]$ make -j 4 ARCH=Linux-x86-64-gfortran VERSION=popt
Discovering programs ...
Removing stale archives for popt ... 
Resolving dependencies for popt ... 
/opt/cp2k-6.1.0/tools/build_utils/fypp -n /opt/cp2k-6.1.0/src/base/kinds.F kinds.F90
/opt/cp2k-6.1.0/tools/build_utils/fypp -n /opt/cp2k-6.1.0/src/dbcsr/base/array_types.F array_types.F90
/opt/cp2k-6.1.0/tools/build_utils/fypp -n /opt/cp2k-6.1.0/src/dbcsr/base/btree.F btree.F90
/opt/cp2k-6.1.0/tools/build_utils/fypp -n /opt/cp2k-6.1.0/src/dbcsr/mm/dbcsr_mm_types.F dbcsr_mm_types.F90
mpif90 -c -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -std=f2008 -I/fftw/3.3/include -I/libint/1.1.4-LARGE_L/include -I/libxc/4.0.4/include -I/libxsmm/1.9/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Tue Nov 27 15:25:30 IST 2018\"" -D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/opt/cp2k-6.1.0/data\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/opt/cp2k-6.1.0/src/base/' kinds.F90 
/bin/sh: mpif90: command not found
make[3]: *** [kinds.o] Error 127
make[3]: *** Waiting for unfinished jobs....
mpif90 -c -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -std=f2008 -I/fftw/3.3/include -I/libint/1.1.4-LARGE_L/include -I/libxc/4.0.4/include -I/libxsmm/1.9/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Tue Nov 27 15:25:30 IST 2018\"" -D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/opt/cp2k-6.1.0/data\"" -D__SHORT_FILE__="\"dbcsr/base/array_types.F\"" -I'/opt/cp2k-6.1.0/src/dbcsr/base/' array_types.F90 
/bin/sh: mpif90: command not found
make[3]: *** [array_types.o] Error 127
mpif90 -c -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -std=f2008 -I/fftw/3.3/include -I/libint/1.1.4-LARGE_L/include -I/libxc/4.0.4/include -I/libxsmm/1.9/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Tue Nov 27 15:25:30 IST 2018\"" -D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/opt/cp2k-6.1.0/data\"" -D__SHORT_FILE__="\"dbcsr/mm/dbcsr_mm_types.F\"" -I'/opt/cp2k-6.1.0/src/dbcsr/mm/' dbcsr_mm_types.F90 
/bin/sh: mpif90: command not found
make[3]: *** [dbcsr_mm_types.o] Error 127
mpif90 -c -D__F2008 -D__FFTW3 -D__LIBINT -D__LIBXC -D__LIBXSMM -D__MPI_VERSION=3 -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel -D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none -ftree-vectorize -funroll-loops -mtune=native -std=f2008 -I/fftw/3.3/include -I/libint/1.1.4-LARGE_L/include -I/libxc/4.0.4/include -I/libxsmm/1.9/include -D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Tue Nov 27 15:25:30 IST 2018\"" -D__COMPILE_HOST="\"localhost.localdomain\"" -D__COMPILE_REVISION="\"svn:18464\"" -D__DATA_DIR="\"/opt/cp2k-6.1.0/data\"" -D__SHORT_FILE__="\"dbcsr/base/btree.F\"" -I'/opt/cp2k-6.1.0/src/dbcsr/base/' btree.F90 
/bin/sh: mpif90: command not found
make[3]: *** [btree.o] Error 127
make[2]: *** [all] Error 2
make[1]: *** [popt] Error 2
make: *** [all] Error 2



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