Failed to compile NWChem 6.6 with MVAPICH2 on CentOS

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 8
Posts 22
I recompiled NWChem with your suggestions, but the error still persists.

Here is the tail of make output after running make FC=ifort.

/bin/sh ./libtool  --tag=CC   --mode=link icc       -o global/trace/collisions.x global/trace/collisions.o
libtool: link: icc -o global/trace/collisions.x global/trace/collisions.o
make[3]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[2]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[1]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'

*** Installing Parallel Tools ****

make[1]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
/usr/bin/make  install-recursive
make[2]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
Making install in armci
make[3]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
/usr/bin/make  install-am
make[4]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
make[5]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib'
 /bin/sh ./libtool   --mode=install /usr/bin/install -c   libarmci.la '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib'
libtool: install: /usr/bin/install -c .libs/libarmci.lai /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libarmci.la
libtool: install: /usr/bin/install -c .libs/libarmci.a /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libarmci.a
libtool: install: chmod 644 /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libarmci.a
libtool: install: ranlib /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libarmci.a
libtool: finish: PATH="/share/apps/python/bin:/share/apps/mpi/mvapich2-2.2b_intel2013/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/mpirt/bin/intel64:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gdb/intel64_mic/py26/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gdb/intel64/py26/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/bin/intel64:/share/apps/intel/composer_xe_2013_sp1.3.174/bin/intel64_mic:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gui/intel64:/share/apps/gcc-4.8.2/bin:/usr/lib64/:/usr/lib64/qt-3.3/bin:/usr/lib/perfsonar/scripts:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/opt/bio/ncbi/bin:/opt/bio/mpiblast/bin:/opt/bio/EMBOSS/bin:/opt/bio/clustalw/bin:/opt/bio/tcoffee/bin:/opt/bio/hmmer/bin:/opt/bio/phylip/exe:/opt/bio/mrbayes:/opt/bio/fasta:/opt/bio/glimmer/bin:/opt/bio/glimmer/scripts:/opt/bio/gromacs/bin:/opt/bio/gmap/bin:/opt/bio/tigr/bin:/opt/bio/autodocksuite/bin:/opt/bio/wgs/bin:/opt/eclipse:/opt/ganglia/bin:/opt/ganglia/sbin:/opt/ibutils/bin:/usr/java/latest/bin:/opt/maven/bin:/opt/pdsh/bin:/opt/rocks/bin:/opt/rocks/sbin:/opt/condor/bin:/opt/condor/sbin:/opt/gridengine/bin/linux-x64:/home/rangsiman/bin:/sbin" ldconfig -n /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib
----------------------------------------------------------------------
Libraries have been installed in:
   /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib

If you ever happen to want to link against installed libraries
in a given directory, LIBDIR, you must either use libtool, and
specify the full pathname of the library, or use the `-LLIBDIR'
flag during linking and do at least one of the following:
   - add LIBDIR to the `LD_LIBRARY_PATH' environment variable
     during execution
   - add LIBDIR to the `LD_RUN_PATH' environment variable
     during linking
   - use the `-Wl,-rpath -Wl,LIBDIR' linker flag
   - have your system administrator add LIBDIR to `/etc/ld.so.conf'

See any operating system documentation about shared libraries for
more information, such as the ld(1) and ld.so(8) manual pages.
----------------------------------------------------------------------
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
 /usr/bin/install -c -m 644 ../../ga-5-4/armci/src/include/armci.h ../../ga-5-4/armci/src/include/gpc.h ../../ga-5-4/armci/src/include/message.h ../../ga-5-4/armci/src/include/parmci.h '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
make[5]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
make[4]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
make[3]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build/armci'
Making install in .
make[3]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[4]: Entering directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib'
 /bin/sh ./libtool   --mode=install /usr/bin/install -c   libga.la '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib'
libtool: install: /usr/bin/install -c .libs/libga.lai /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libga.la
libtool: install: /usr/bin/install -c .libs/libga.a /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libga.a
libtool: install: chmod 644 /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libga.a
libtool: install: ranlib /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib/libga.a
libtool: finish: PATH="/share/apps/python/bin:/share/apps/mpi/mvapich2-2.2b_intel2013/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/mpirt/bin/intel64:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gdb/intel64_mic/py26/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gdb/intel64/py26/bin:/share/apps/intel/composer_xe_2013_sp1.3.174/bin/intel64:/share/apps/intel/composer_xe_2013_sp1.3.174/bin/intel64_mic:/share/apps/intel/composer_xe_2013_sp1.3.174/debugger/gui/intel64:/share/apps/gcc-4.8.2/bin:/usr/lib64/:/usr/lib64/qt-3.3/bin:/usr/lib/perfsonar/scripts:/usr/local/bin:/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/sbin:/opt/bio/ncbi/bin:/opt/bio/mpiblast/bin:/opt/bio/EMBOSS/bin:/opt/bio/clustalw/bin:/opt/bio/tcoffee/bin:/opt/bio/hmmer/bin:/opt/bio/phylip/exe:/opt/bio/mrbayes:/opt/bio/fasta:/opt/bio/glimmer/bin:/opt/bio/glimmer/scripts:/opt/bio/gromacs/bin:/opt/bio/gmap/bin:/opt/bio/tigr/bin:/opt/bio/autodocksuite/bin:/opt/bio/wgs/bin:/opt/eclipse:/opt/ganglia/bin:/opt/ganglia/sbin:/opt/ibutils/bin:/usr/java/latest/bin:/opt/maven/bin:/opt/pdsh/bin:/opt/rocks/bin:/opt/rocks/sbin:/opt/condor/bin:/opt/condor/sbin:/opt/gridengine/bin/linux-x64:/home/rangsiman/bin:/sbin" ldconfig -n /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib
----------------------------------------------------------------------
Libraries have been installed in:
   /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/lib

If you ever happen to want to link against installed libraries
in a given directory, LIBDIR, you must either use libtool, and
specify the full pathname of the library, or use the `-LLIBDIR'
flag during linking and do at least one of the following:
   - add LIBDIR to the `LD_LIBRARY_PATH' environment variable
     during execution
   - add LIBDIR to the `LD_RUN_PATH' environment variable
     during linking
   - use the `-Wl,-rpath -Wl,LIBDIR' linker flag
   - have your system administrator add LIBDIR to `/etc/ld.so.conf'

See any operating system documentation about shared libraries for
more information, such as the ld(1) and ld.so(8) manual pages.
----------------------------------------------------------------------
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin'
  /bin/sh ./libtool   --mode=install /usr/bin/install -c global/trace/adjust.x global/trace/collisions.x '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin'
libtool: install: /usr/bin/install -c global/trace/adjust.x /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin/adjust.x
libtool: install: /usr/bin/install -c global/trace/collisions.x /share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin/collisions.x
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin'
 /usr/bin/install -c tools/ga-config '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/bin'
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
 /usr/bin/install -c -m 644 ../ga-5-4/ma/error.h ../ga-5-4/ma/macdecls.h ../ga-5-4/ma/macommon.h ../ga-5-4/ma/maf2c.fh ma/mafdecls.fh ma/matypes.h ../ga-5-4/ma/scope.h ../ga-5-4/ma/string-util.h ../ga-5-4/ma/table.h ../ga-5-4/global/src/gacommon.h ../ga-5-4/global/src/ga.h global/src/global.fh ../ga-5-4/global/src/ga-papi.h ../ga-5-4/global/src/ga-mpi.h ../ga-5-4/global/src/ga-mpi.fh ../ga-5-4/pario/dra/dra.fh ../ga-5-4/pario/dra/dra.h ../ga-5-4/pario/eaf/eaf.fh ../ga-5-4/pario/eaf/eaf.h ../ga-5-4/pario/elio/chemio.h ../ga-5-4/pario/elio/elio.h ../ga-5-4/pario/sf/coms.h ../ga-5-4/pario/sf/sf.fh ../ga-5-4/pario/sf/sf.h gaf2c/typesf2c.h gaf2c/farg.h ../ga-5-4/tcgmsg/tcgmsg.fh ../ga-5-4/tcgmsg/tcgmsg.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesc.h ../ga-5-4/tcgmsg/tcgmsg-mpi/msgtypesf.h '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
 /bin/mkdir -p '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
 /usr/bin/install -c -m 644 global/src/ga-wapi.h '/share/apps/nwchem-6.6/nwchem-6.6/src/tools/install/include'
make[4]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[3]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[2]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'
make[1]: Leaving directory `/share/apps/nwchem-6.6/nwchem-6.6/src/tools/build'


I also attached you the config.log with this link [1]

What should I do then?

Rangsiman
Edited On 8:25:45 AM PDT - Sat, Oct 26th 2019 by Rangsiman


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC