Dear Bill, Yes, the first problem I faced was precision. In double precision, all of CLIPPER programs did not run. After that, I have used with single precision MKL's FFT. And CLIPPER programs except cbuccaneer.exam successfully ran.
So, I wonder why only the BUCCANEER fails under this environment. :( Certainly, using pre-built package is easear and faster than building by myself. But I want to compare performance between pre-built and Intel MKL. :) In my trial, test(make runtest) under Intel Compiler with Intel MKL(as LAPACK without FFT) is 8% faster than pre-build package. I wornder how much contributes with MKL's FFT library. Nobuo OKAZAKI Bill wrote: > I should let the experts answer definitively, but I think this might > be because the clipper-related stuff (and coot) need single-precision > s[r]fftw libraries. > > I had to do something like this: > > LDFLAGS="-Wl,-dylib_file,/sw/lib/libsfftw.2.0.7.dylib:/sw/lib/ > libsrfftw.2.0.7.dylib" > > It will probably be a bit different on Fedora (linux uses .so instead > of .dylib suffixes). The main point is to force-feed it the single- > precision libraries. > > In practice it is probably just easier just to let ccp4 build its own, > unless you need the mpi versions. Single precision makes the > calculation go faster and you can't see the difference in the maps, in > my experience. > > HTH,
