[gmx-users] libfftw3f.so problems....

Justin Lemkul jalemkul at vt.edu
Tue Sep 20 22:51:29 CEST 2016

On 9/20/16 2:52 PM, Steve Seibold wrote:
> Hello
> 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 
output/error message(s).



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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