| 5:40:48 AM PDT - Mon, Sep 22nd 2014 |
|
Hello,
I have tried to build NWChem using OpenMPI (1.6.5) and MVAPICH (1.9) to run on Infiniband nodes, but the application keeps crashing with this error for both MPI implementations:
0:Cannot run: improper task to host mapping!: 0
My configuration is given below:
module load mvapich/1.9/intel
module load intel/13.1
cd Nwchem-6.5.revision26243-src.2014-09-10
export NWCHEM_TOP=`pwd`
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export USE_MPI=y
export USE_MPIF=y
export MPI_LIB=/opt/mvapich/1.9/intel/13.1/lib
export MPI_INCLUDE=/opt/mvapich/1.9/intel/13.1/include
export LIBMPI="-L$MPI_LIB -lmpichf90 -lmpich -lopa -lmpl -libmad -libumad -libverbs -lrt -lnuma -lpthread"
export FC=ifort
export CC=icc
export ARMCI_NETWORK=OPENIB
export IB_HOME=/usr
export IB_INCLUDE=/usr/include/infiniband
export IB_LIB=/usr/lib64
export IB_LIB_NAME="-libumad -libverbs -lpthread"
export MKLROOT=/opt/intel/composer_xe_2013.5.192/mkl/lib/intel64
export BLASOPT="-Wl,--start-group $MKLROOT/libmkl_intel_ilp64.a $MKLROOT/libmkl_sequential.a $MKLROOT/libmkl_core.a -Wl,--end-group -lpthread -lm"
cd src
make nwchem_config
make -j 4
Has this anything to do with 8 byte integers?
Any help will be greatly appreciated. Thanks in advance.
|