compiling nwchem-6.6 with infiniband
Just Got Here
4:03:54 AM PDT - Mon, May 16th 2016
Dear Developers,
We have a unix computer with Ubuntu 16 and Infinibands with Verbs protocol. I get this error when I try to compile:
/usr/bin/ld: /opt/nwchem-6.6_infi/nwchem-6.6/src/tools/install/lib/libarmci.a(openib.o): undefined reference to symbol 'ibv_destroy_qp@@IBVERBS_1.1'
//usr/lib/libibverbs.so.1: error adding symbols: DSO missing from command line
collect2: error: ld returned 1 exit status
GNUmakefile:33: recipe for target 'all' failed
make: *** [all] Error 1

My source file looks like this:
setenv NWCHEM_TOP /opt/nwchem-6.6_infi/nwchem-6.6
setenv NWCHEM_TARGET LINUX64
setenv NWCHEM_MODULES "all python"
setenv FC gfortran

setenv NWCHEM_EXECUTABLE /opt/nwchem-6.6_infi/nwchem-6.6/bin/LINUX64/nwchem
setenv NWCHEM_BASIS_LIBRARY /opt/nwchem-6.6_infi/nwchem-6.6/src/basis/libraries/
setenv NWCHEM_NWPW_LIBRARY /opt/nwchem-6.6_infi/nwchem-6.6/src/nwpw/libraryps/
setenv LARGE_FILES "TRUE"

setenv USE_MPI "y"
setenv USE_MPIF "y"
setenv USE_MPIF4 "y"
setenv MPI_LOC /usr/lib/openmpi
setenv USE_64TO32 "y"
setenv PATH /opt/nwchem-6.6_infi/nwchem-6.6/bin/LINUX64:$PATH
  1. source /usr/lib64/mpi/gcc/openmpi/bin/mpivars.csh
setenv BLASOPT "-lopenblas -lpthread -lrt"
setenv ARMCI_NETWORK OPENIB
setenv IB_INCLUDE /usr/include/infiniband
setenv IB_LIB /usr/lib
setenv IB_LIB_NAME "-libverbs -libumad -lpthread"
setenv USE_PYTHONCONFIG y
setenv PYTHONVERSION 2.7
setenv PYTHONHOME /usr

Before I compiled I typed in
unset PYTHONCONFIGDIR

Why am I getting this error?
Thank you for your help,
Helen Eisenberg

Forum Vet
2:42:09 PM PDT - Mon, May 16th 2016
What happens if you do not set (= unsetenv) IB_INCLUDE, IB_LIB, IB_LIB_NAME?

At which point in the compilation are getting the error reported (i.e. in what directory is the compilation
when the error occurs)?

Just Got Here
1:05:38 AM PDT - Tue, May 17th 2016
Thank you for your prompt reply.
I tried unsetting IB_INCLUDE, IB_LIB, IB_LIB_NAME and obtained the same error.
Here are the directory references in the make.log that appeared before the error.
Making libraries in ccca
make[1]: Entering directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/ccca'
make[2]: Entering directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/ccca'
Got lock on /opt/nwchem-6.6_infi/nwchem-6.6/lib/LINUX64/libccca.lock
make[2]: Leaving directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/ccca'
make[1]: Leaving directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/ccca'
Making libraries in 64to32blas
make[1]: Entering directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/64to32blas'
make[2]: Entering directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/64to32blas'
make[2]: Leaving directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/64to32blas'
make[1]: Leaving directory '/opt/nwchem-6.6_infi/nwchem-6.6/src/64to32blas'
make nwchem.o stubs.o
make[1]: Entering directory '/opt/nwchem-6.6_infi/nwchem-6.6/src'
make[1]: Leaving directory '/opt/nwchem-6.6_infi/nwchem-6.6/src'
Thank you for your help,
Helen Eisenberg

Just Got Here
11:54:13 AM PDT - Tue, May 17th 2016
Additionally, I managed to compile on version 6.5 but I couldn't run it as there was a problem with read and execute permissions for all users.


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