Re: [AMBER-Developers] First AmberTools release candidate

From: Volodymyr Babin <vbabin.ncsu.edu>
Date: Tue, 16 Mar 2010 22:13:33 -0400 (EDT)

> Better: try intel without mkl.

without MKL (freshly unbzip2ed/untared) it says:

: undefined reference to `__svml_cosh2'
pb_nlsolver.o(.text+0x1ae7b): more undefined references to `__svml_cosh2'
follow
make[1]: *** [pbsa] Error 1
make[1]: Leaving directory
`/gpfs_share/vbabin/amber11/AmberTools/src/pbsa'

after putting "-lsvml" in FLIBSF it compiles and passes all serial
tests [18 file comparisons failed, 0 tests experienced errors; the
failed ones look like rounding errors as the differences are really
tiny]

I don't know how to run parallel tests there because everything
goes through LSF

Best,

Volodymyr


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Received on Tue Mar 16 2010 - 19:30:03 PDT
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