[gmx-users] CMake Error at cmake/gmxManageSimd.cmake:67 (message): Found a compiler flag for AVX2 support, but some other problem exists.
jalemkul at vt.edu
Sun Sep 4 15:53:46 CEST 2016
On Sunday, September 4, 2016, Atila Petrosian <atila.petrosian at gmail.com>
> Dear Mark,
> Thanks for your quick answer.
> Now, how to use gromacs 5.1.3 commands?
> The reason of my question:
> There is gromacs 4.5.4 (in /opt/bio directory) in my Rocks cluster system
> by default.
> I used source /usr/local/gromacs/bin/GMXRC,
> Unfortunately, pdb2gmx related to gromacs 4.5.4 is run.
> Please guide me to resolve this issue.
The syntax since version 5.0 is different. Please read the documentation
and tutorials for the new version. Several programs have been renamed, as
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
More information about the gromacs.org_gmx-users