[gmx-users] mdrun_mpi with cmake with GMX_BUILD_MDRUN_ONLY=ON
jalemkul at vt.edu
Fri May 23 01:02:11 CEST 2014
On 5/22/14, 6:57 PM, Soren Wacker wrote:
> 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?
Yes, that is for 5.0.
> 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:
>> That means you compile everything with
>> cmake ....
>> #and only at the last step the build is limited to mdrun?
>> Do you already know how you will turn on an 'mdrun-only build' ?
> No, use cmake -DGMX_BUILD_MDRUN_ONLY=ON
> 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
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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
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