Recently our cluster has gone through some updates and I had to recompile
amber16. I am using intel compilers 2015 (icc version 15.0) and intel mpi.
The serial compilation works, but when I try ./configure -intelmpi intel, I
get the an error saying that I should check AmberTools/src/fftw3_config.log.
The last 5 lines of fftw3_config.log are.
checking for mpicc... mpiicc
checking for MPI_Init... no
checking for MPI_Init in -lmpi... no
checking for MPI_Init in -lmpich... no
configure: error: could not find mpi library for --enable-mpi
Any idea what the problem might be?
Thanks
Fabrício
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Received on Thu Oct 06 2016 - 13:30:03 PDT
