Hello Amber community,
I am compiling Amber14 with gcc/gfortran and want to build the OpenMP
version of cpptraj. It seems that GNU OpenMP and MKL libs are not mutually
compatible, so I was wondering if cpptraj used MKL and if compiling an
OpenMP version would have an impact on the speed of non-threaded parts of
cpptraj?
Thank you,
Eugene Yedvabny
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Received on Wed Apr 23 2014 - 16:30:03 PDT
