[gmx-users] libfftw3f.so problems....
jalemkul at vt.edu
Tue Sep 20 22:51:29 CEST 2016
On 9/20/16 2:52 PM, Steve Seibold wrote:
> I am attempting to compile Gromacs 5.0.4 mpi version and I get the statement that the GMX_BUILD_FFTW was not used. That is cmake could not get fftwf_have_simd_avx and the other simd .so files. However, it did locate libfftw3f.so, but could not find simd files "in" libfftw3f.so. The libfftw3f.so is a symbolic link to libfftw3f.so.3.2.4......Not sure what is going on....
> In addition, I could not locate the GMXR executable for gmx??
> Can someone help me with this???
Start by providing us your actual, complete cmake command and the actual screen
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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