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Hello,
I have compiled nwchem6.0 on the cluster : I use OpenMPI compiled with INTEL
I want to use Inifiniband
&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
1. !/bin/bash
export TCGRSH=/usr/bin/ssh
export USE_MPI=yes
export USE_MPIF=yes
export MPI_LOC=/usr/mpi/intel/openmpi-1.4.2/
export MPI_INCLUDE=$MPI_LOC/include
export MPI_LIB=$MPI_LOC/lib64
export LIBMPI="-L $MPI_LIB -lmpi -lopen-pal -lopen-rte -lmpi_f90 -lmpi_f77"
ARMCI_NETWORK=OPENIB
export NWCHEM_TOP=`pwd`
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES="all"
export NWCHEM_EXECUTABLE=$NWCHEM_TOP/bin/LINUX64/nwchem
cd $NWCHEM_TOP/src
make CC=icc FC=ifort -j4
&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&
Ok when I run mpirun -n 1 nwchem 1.rwc
No problem it runs
But when I run mpirun -n 2 nwchem 1.rwc
IT STOP :
0:0:nga_put_common:cannot locate region: [28394:76246 ,28394:76246 ]:: -999
What is the problem ?
Could you please help me ... I spent lot of time on this but nothing works.
Best Christophe
From your build I am missing the set up for the Infiniband. See the BUILD file under Infiniband for the environment variables to set to compile for IB.
Bert
Quote:Bovigny Jun 17th 6:25 amI run with mpirun -n 2 nwchem a md ?
ERROR
0:0:nga_put_common:cannot locate region: [28394:76246 ,28394:76246 ]:: -999
(rank:0 hostname:master.cluster pid:24491):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
Do you have suggestion |