From NWChem
Viewed 98 times, With a total of 3 Posts
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Just Got Here
Threads 3
Posts 4
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| 1:02:25 PM PDT - Thu, Sep 10th 2015 |
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Hi,
While I was compiling Nwchem-6.5.revision26243, the following errors showed up:
checking for library containing MPI_Init... no
configure: error: test for COMEX_NETWORK=MPI_TS failed
configure: error: ../../ga-5-3/comex/configure failed for comex
make[1]: *** [build/config.status] Error 1
make: *** [libraries] Error 1
Any help would be greatly appreciated. Thank you for your help in advance.
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BTW, my variables are the following
export NWCHEM_TOP=/local/liu.3391/Nwchem-6.5.revision26243-src.2014-09-10
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export LARGE_FILESi=TRUE
export USE_NOFSCHECK=TRUE
export LIB_DEFINES=" -DDFLT_TOT_MEM=503316480"
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr/local/openmpi
export MPI_LIB=/usr/local/openmpi/lib
export MPI_INCLUDE=/usr/local/openmpi
export LIBMPI="-lmpi -lmpi_f90 -lmpi_f77
export FC=ifort
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 4
Posts 936
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| 3:12:32 PM PDT - Thu, Sep 10th 2015 |
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What is the output of
mpif90 -show
or
/usr/local/openmpi/bin/mpif90 -show
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Just Got Here
Threads 3
Posts 4
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| 6:08:46 AM PDT - Fri, Sep 11th 2015 |
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Quote:Edoapra Sep 10th 3:12 pmWhat is the output of
mpif90 -show
or
/usr/local/openmpi/bin/mpif90 -show
$mpif90 -show
gfortran -I/usr/local/openmpi/include -pthread -I/usr/local/openmpi/lib -Wl,-rpath -Wl,/usr/local/openmpi/lib -Wl,--enable-new-dtags -L/usr/local/openmpi/lib -lmpi_usempi -lmpi_mpifh -lmpi
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 4
Posts 936
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| 11:34:09 AM PDT - Fri, Sep 11th 2015 |
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Please change LIBMPI
export LIBMPI="-lmpi_usempi -lmpi_mpifh -lmpi"
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