ABINIT Discussion Forums

Hello, Thank you for help. Now everything seems to be fine ... almost fine. It compiles perfectly but after make , when I run make check it finishes with such error: [libxc][t999] File t*_SUS* erased [libxc][t999] File t*_KSS* erased [libxc][t999] File t*_xsf* erased make[4]: Leaving directory `/tmp...

Hello,

Thank you for the answer. I have to compile it with a linear algebra.
Please check attachement there is a config.log

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Cheers,
Bartek

OK. I get through it. I have to use libxc, and now after such configure: ./configure CC=icc FC=mpif90 --enable-mpi=yes --with-linalg-flavor=mkl --enable-64bit-flags=yes --with-linalg-libs=-L/opt/intel/mkl/lib/intel64 --enable-libxc --with-atompaw-libs=-L/usr/lib64 --with-atompaw-bins=/usr/bin --pref...

Hello, My fault .. here is the full error: ifort: command line remark #10010: option '-pthread' is deprecated and will be removed in a future release. See '-help deprecated' ifort: command line warning #10156: ignoring option '-r'; no argument required ifort: command line warning #10156: ignoring op...

Thank you for your answer. If I run that: ./configure --enable-mpi --enable-mpi-io --with-mpi-prefix=/usr/mpi/intel/openmpi --prefix=/opt/exp_soft/plgrid/abinit it finishes ok but make cause: make[6]: *** [atompaw] Error 1 make[6]: Leaving directory `/home/admins/xxxx/name/abinit/abinit-6.12.2/fallb...

Hello, I have a problem with run abinit from pbs server. I have compiled it this way: export FC=ifort export CC=icc ./configure --prefix=/opt/exp_soft/plgrid/abinit-mpi-intel Every time I submit pbs job I get such error: MPIFAKE: mpi_attr_get MPIFAKE: mpi_attr_get MPIFAKE: mpi_attr_get MPIFAKE: mpi_...