From NWChem
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Gets Around
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3:28:40 AM PDT - Wed, Aug 22nd 2012 |
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I have compiled 6.1.1 with {BLAS,LAPACK}_SIZE=4 without solving the mpi problem, apart from getting --with-blas4="-L/usr/lib64 -lblas -llapack" in the make stages. As a side comment shouldn't LAPACK_LIB variable be set too, and not only BLASOPT?
I see LAPACK_LIB variable is not mentioned at http://www.nwchem-sw.org/index.php/Compiling_NWChem
This makes the output when setting BLASOPT to look like:
--without-lapack --with-blas8=-L/usr/lib64 -lblas -llapack
The 6.0 version i use is this one:
http://download.opensuse.org/repositories/home:/marcindulak/CentOS_CentOS-5/
with the log available:
https://build.opensuse.org/package/live_build_log?arch=x86_64&package=nwchem&proje...
It does not look like nwchem 6.0 prints anything about ARMCI_NETWORK, and i haven't set anything.
In my impression the problems with crashes across the nodes started around the time when i had to set
USE_MPIF4=y in order to kompile nwchem.
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