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| 10:42:47 AM PST - Fri, Jan 4th 2013 |
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Quote:Edoapra Jan 4th 9:20 amWhat about the ldd command, i.e.
ldd $HOME/nwchem-6.1.1-src/bin/LINUX64/nwchem
Does this show any mkl library?
Quote:DouDou Jan 3rd 1:31 pmThanks Huub and Edopra for your responses,
'nm $HOME/nwchem-6.1.1-src/bin/LINUX64/nwchem | egrep mkl_ | egrep dgemm' did not return, does that mean there are no MKL objects my NWChem binary? that is weird because in the link line the libraries are there.
I don't really have to use MKL, I can use another set of optimized math libraries, which ones are the most popular/best tested for NWChem? Thanks again
Yes, they are there
libmkl_scalapack_ilp64.so => /home/joe/mkl/mkl/lib/intel64/libmkl_scalapack_ilp64.so (0x00002aaaaaaad000)
libmkl_cdft_core.so => /home/joe/mkl/mkl/lib/intel64/libmkl_cdft_core.so (0x00002aaaab2b5000)
libmkl_gf_ilp64.so => /home/joe/mkl/mkl/lib/intel64/libmkl_gf_ilp64.so (0x00002aaaab4d1000)
libmkl_sequential.so => /home/joe/mkl/mkl/lib/intel64/libmkl_sequential.so (0x00002aaaabbd3000)
libmkl_core.so => /home/joe/mkl/mkl/lib/intel64/libmkl_core.so (0x00002aaaac271000)
libmkl_blacs_intelmpi_ilp64.so => /home/joe/mkl/mkl/lib/intel64/libmkl_blacs_intelmpi_ilp64.so (0x00002aaaad47f000)
libdl.so.2 => /lib64/libdl.so.2 (0x0000003790800000)
libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003790c00000)
libgfortran.so.1 => /usr/lib64/libgfortran.so.1 (0x00002aaaad708000)
libm.so.6 => /lib64/libm.so.6 (0x0000003790400000)
librt.so.1 => /lib64/librt.so.1 (0x0000003791400000)
libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x0000003669600000)
libc.so.6 => /lib64/libc.so.6 (0x0000003790000000)
/lib64/ld-linux-x86-64.so.2 (0x000000378f000000)
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Edited On 10:49:27 AM PST - Fri, Jan 4th 2013 by DouDou
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