[gmx-users] OpenMP

ingram ingram at fhi-berlin.mpg.de
Thu May 12 12:07:04 CEST 2016

Dear Grommacs users,

I am trying to run some REMD calculations. I did not compile GROMACS 
with openMP, so when these calculations fail the first error I get is 

Number of logical cores detected (12) does not match the number 
reported by OpenMP (3).
Consider setting the launch configuration manually!

And I dont understand why OpenMP is even being used by GROMACS.

THank you for your help


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