Re: [gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

On Thu, Jul 25, 2013 at 2:55 PM, Mirco Wahab wrote: > On 25.07.2013 12:28, Mark Abraham wrote: >> >> What doesn't work about the install guide instructions: 'Using MKL >> with icc 11 or higher is very simple. Set up your compiler environment >> correctly, perhaps with a command like source /path/t

Re: [gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

On 25.07.2013 12:28, Mark Abraham wrote: What doesn't work about the install guide instructions: 'Using MKL with icc 11 or higher is very simple. Set up your compiler environment correctly, perhaps with a command like source /path/to/compilervars.sh intel64 (or consult your local documentation).

Re: [gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

What doesn't work about the install guide instructions: 'Using MKL with icc 11 or higher is very simple. Set up your compiler environment correctly, perhaps with a command like source /path/to/compilervars.sh intel64 (or consult your local documentation). Then set -DGMX_FFT_LIBRARY=mkl when you run

[gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

I read the report (http://redmine.gromacs.org/issues/1110) and tried some combinations. This was my last failing attempt: - - - 8< - - - - - - - - - - - - - - - - - - - - - - - - - - #!/bin/sh export GMXVERSION=gromacs-4.6.3 export GMXTARGET=/opt/gromacs463 MINC=/opt/intel/mkl/include MLIB=/opt