From NWChem
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| 3:19:06 PM PDT - Thu, Sep 10th 2015 |
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I tried running nwchem with mpiexec -np 2 ./nwchem a.nw and am getting the following error.
./nwchem: error while loading shared libraries: libmpi_f90.so.1: cannot open shared object file: No such file or directory
./nwchem: error while loading shared libraries: libmpi_f90.so.1: cannot open shared object file: No such file or directory
What's weird is, if I run ldd nwchem, it clearly finds the library.:
$ldd nwchem
linux-vdso.so.1 => (0x00007fff98dff000)
libmpi_f90.so.1 => /shared/software/LAS/openmpi/1.6.5/lib/libmpi_f90.so.1 (0x00007fea3a1ca000)
libmpi_f77.so.1 => /shared/software/LAS/openmpi/1.6.5/lib/libmpi_f77.so.1 (0x00007fea39f96000)
libmpi.so.1 => /shared/software/LAS/openmpi/1.6.5/lib/libmpi.so.1 (0x00007fea39be6000)
libdl.so.2 => /lib64/libdl.so.2 (0x00000038ae600000)
libnsl.so.1 => /lib64/libnsl.so.1 (0x0000003cd2a00000)
libutil.so.1 => /lib64/libutil.so.1 (0x00000038b8e00000)
librdmacm.so.1 => /usr/lib64/librdmacm.so.1 (0x0000003aa7c00000)
libibverbs.so.1 => /usr/lib64/libibverbs.so.1 (0x0000003aa7400000)
libibumad.so.3 => /usr/lib64/libibumad.so.3 (0x0000003aa7800000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x00000038aee00000)
librt.so.1 => /lib64/librt.so.1 (0x00000038af600000)
libm.so.6 => /lib64/libm.so.6 (0x00000038af200000)
libc.so.6 => /lib64/libc.so.6 (0x00000038aea00000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00000038ba200000)
libnuma.so.1 => /usr/lib64/libnuma.so.1 (0x00000038afe00000)
libgfortran.so.3 => /usr/lib64/libgfortran.so.3 (0x0000003ed1600000)
/lib64/ld-linux-x86-64.so.2 (0x00000038ae200000)
The correct library location is in my LD_LIBRARY_PATH and I have read permissions for it. libmpi_f90.so.1 is a symbolic link, but it does point to something that's actually there. Any clues or suggestions?
I've tried compiling nwchem 6.0 and 6.1 both with the same results.
System info:
LSB Version: :base-4.0-amd64:base-4.0-noarch:core-4.0-amd64:core-4.0-noarch:graphics-4.0-amd64:graphics-4.0-noarch:printing-4.0-amd64:printing-4.0-noarch
Distributor ID: RedHatEnterpriseServer
Description: Red Hat Enterprise Linux Server release 6.6 (Santiago)
Release: 6.6
Codename: Santiago
Linux condo 2.6.32-504.3.3.el6.x86_64 #1 SMP Fri Dec 12 16:05:43 EST 2014 x86_64 x86_64 x86_64 GNU/Linux
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