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 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

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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