[gmx-users] mdrun_mpi with cmake with GMX_BUILD_MDRUN_ONLY=ON

Soren Wacker swacker at ucalgary.ca
Fri May 23 00:58:09 CEST 2014


actually, both solutions generated mdrun_mpi.
Would you recommend to set a suffix for the libraries as well?

@Justin: I've got 
>  Manually-specified variables were not used by the project:

Does this mean the variable is not used at all, or just not here? Or should I set it as environment variable???
Is this the solution for gromacs 5?
I am compiling 4.6.5.

cmake command was:
cmake .. -DFFTWF_INCLUDE_DIR=/home/swacker/Programme/fftw3/single/include -DFFTWF_LIBRARY=~/Programme/fftw3/single/lib/libfftw3f.a -DCMAKE_INSTALL_PREFIX=~/Programme/gromacs/gromacs-4.6.5-gcc-fftw3-single -DGMX_MPI=ON -DGMX_BINARY_SUFFIX=_mpi -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BUILD_MDRUN_ONLY=ON

From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Justin Lemkul [jalemkul at vt.edu]
Sent: Thursday, May 22, 2014 4:38 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] mdrun_mpi with cmake

On 5/22/14, 6:36 PM, Soren Wacker wrote:
> Thanks!
> That means you compile everything with
> cmake ....
> make
> #and only at the last step the build is limited to mdrun?
> make-mdrun
> Do you already know how you will turn on an 'mdrun-only build' ?




Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

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

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 send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list