there must be at least two ranks per node

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1:36:14 AM PDT - Mon, Oct 15th 2018
Quote:Edoapra Oct 12th 9:52 am Jim Plesase send the output of the following commands which mpirun ldd $NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem mpif90 -show PS We do have precompiled packages for Ubuntu 18.04 https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem_6.8.1+133+gitge... https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-data_6.8.1+133+... Instructions for installing them: curl -O https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-data_6.8.1+133+gitge032219-2_all.ubuntu_bionic.deb curl -O https://github.com/nwchemgit/nwchem/releases/download/6.8.1-release/nwchem-data_6.8.1+133+gitge032219-2_all.ubuntu_bionic.deb sudo apt get libscalapack-mpi-dev libopenblas-dev sudo dpkg -i nwchem-6.8.1deb $ which mpirun /usr/bin/mpirun $ ldd $NWCHEM_TOP/bin/$NWCHEM_TARGET/nwchem linux-vdso.so.1 (0x00007ffd3abc9000) libopenblas.so.0 => /usr/lib/x86_64-linux-gnu/libopenblas.so.0 (0x00007fdfb4783000) libmpichfort.so.0 => /usr/lib/x86_64-linux-gnu/libmpichfort.so.0 (0x00007fdfb454b000) libmpich.so.0 => /usr/lib/x86_64-linux-gnu/libmpich.so.0 (0x00007fdfb4095000) libcudart.so.10.0 => /usr/local/cuda-10.0/lib64/libcudart.so.10.0 (0x00007fdfb3e1b000) libstdc++.so.6 => /usr/lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007fdfb3a8d000) librt.so.1 => /lib/x86_64-linux-gnu/librt.so.1 (0x00007fdfb3885000) libgfortran.so.4 => /usr/lib/x86_64-linux-gnu/libgfortran.so.4 (0x00007fdfb34a6000) libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007fdfb3108000) libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007fdfb2ede000) libpthread.so.0 => /lib/x86_64-linux-gnu/libpthread.so.0 (0x00007fdfb2cbf000) libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007fdfb2aa7000) libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007fdfb26b6000) libcr.so.0 => /usr/lib/libcr.so.0 (0x00007fdfb24ab000) libdl.so.2 => /lib/x86_64-linux-gnu/libdl.so.2 (0x00007fdfb22a7000) /lib64/ld-linux-x86-64.so.2 (0x00007fdfc59f0000) libquadmath.so.0 => /usr/lib/x86_64-linux-gnu/libquadmath.so.0 (0x00007fdfb2067000) $ mpif90 -show gfortran -I/usr/lib/x86_64-linux-gnu/openmpi/include -pthread -I/usr/lib/x86_64-linux-gnu/openmpi/lib -L/usr//lib -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi