Issues compiling NWChem 6.0

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Just Got Here
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Hi there,

I am having issues compiling NWChem version 6.0.

The compiling looked promising as it took a while to be finished. However, when I check the make.log file I get this at the very end of it:


/usr/bin/ld: cannot find -lf77blas
make: *** [all] Error 1

I would appreciate any help on this. Below is the sequence of commands I have tried until now.




setenv NWCHEM_TOP /work/cuevasr/nwchem-6.0/

setenv NWCHEM_TARGET LINUX64

setenv ARMCI_NETWORK OPENIB

setenv USE_MPI y

setenv LIBMPI "-lmpi_f90 -lmpi_f77 -lmpi -ltorque -ldl -lm -lnuma -Wl,--export-dynamic -lrt -lnsl -lutil"

setenv MPI_LIB /opt/sharcnet/openmpi/1.6.2/intel/lib

setenv MPI_INCLUDE /opt/sharcnet/openmpi/1.6.2/intel/include

setenv NWCHEM_MODULES "all"

setenv USE_NOFSCHECK TRUE

setenv USE_NOIO TRUE

setenv LIB_DEFINES -DDFLT_TOT_MEM=16777216

setenv MRCC_THEORY TRUE

cd $NWCHEM_TOP/src

make nwchem_config

make > & make.log



Thanks!

Forum Vet
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Posts 1398
What value did you set for BLASOPT?

Just Got Here
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Posts 3
This is the value:

setenv BLASOPT "-L/usr/local/ATLAS -llapack -lf77blas -latlas"

Forum Vet
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Posts 1398
What is the output of the command

ls -l /usr/local/ATLAS/libf77blas.*

Just Got Here
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Posts 3
No such file or directory

Which makes me thing the thing is not installed (contrary to what I was told by my administrator). Any hints on how to proceed? I am not the administrator of the system.

Thanks

Forum Vet
Threads 9
Posts 1398
Just unset BLASOPT and see if the link is successful.
If that works, you might want to replace Atlas with other alternatives
http://www.nwchem-sw.org/index.php/Compiling_NWChem#Setting_up_the_proper_environment_vari...


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