| 5:17:23 PM PDT - Tue, Jun 7th 2016 |
|
Hello there
I'm trying to run the tests inside the 'QA' directory and am facing strange issues.
I can only run the tests (e.g. doafewqmtests.mpi) with 16 or less cores, otherelse it fails with the following error:
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_shm_create: shm_unlink: Permission denied
[18] Received an Error in Communication: (-1) _shm_create: shm_unlink
application called MPI_Abort(comm=0x84000000, -1) - process 18
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++
The system in question is the following:
OS: centos 6.5
CC / FC / CXX = intel 16.0.2
MPI = impi 5.1.3
BLAS = mkl 11.3
Here's how I compiled nwchem:
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++
export NWCHEM_TOP=/home/user/nwchem/nwchem-6.6
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES="all python"
export NWCHEM_MPIF_WRAP="/opt/intel/impi/5.1.3.181/bin64/mpiifort"
export NWCHEM_MPIC_WRAP="/opt/intel/impi/5.1.3.181/bin64/mpiicc"
export NWCHEM_MPICXX_WRAP="/opt/intel/impi/5.1.3.181/bin64/mpiicpc"
export NWCHEM_LONG_PATHS=Y
export USE_NOFSCHECK=Y
export USE_MPI=y
export USE_MPIF=y
export CFLAGS_FORGA='-O0'
export FFLAGS_FORGA='-O0'
export CXXFLAGS_FORGA='-O0'
export FC=ifort
export CC=icc
export CXX=icpc
export I_MPI_CC=icc
export I_MPI_FC=ifort
export I_MPI_F77=ifort
export I_MPI_F90=ifort
export I_MPI_CXX=icpc
export ARMCI_NETWORK=MPI-PR
export ARMCI_DEFAULT_SHMMAX=1048576
export MSG_COMMS=MPI
export BLAS_SIZE=8
export BLASOPT="-L /opt/intel/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread"
export BLAS_LIB=$BLAS_LIB
export LAPACK_SIZE=8
export LAPACK_LIB=$BLASOPT
export USE_SCALAPACK=y
export SCALAPACK_SIZE=8
export SCALAPACK="-L /opt/intel/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64 -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 $BLASOPT"
export PYTHON_EXE=/usr/bin/python
export PYTHONVERSION=2.6
export USE_PYTHON64=yes
export PYTHONPATH+=:/home/user/nwchem/nwchem-6.6/contrib/python/
export PYTHONHOME=/usr
export PYTHONLIBTYPE=so
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++
$ make -C src/ nwchem_config
$ make -C src/
The *FLAGS_FOR_GA env variables were needed to get to this point
Ulimits are ok, AFAICT.
Any idea what is the cause of the problem?
TIA,
Fabricio
|