[AMBER] anybody has any idea?

From: Albert <mailmd2011.gmail.com>
Date: Thu, 30 May 2019 09:17:35 +0200


I am trying to compile amber 18 in a small cluster, which uses srun instead
of mpi for the system. However, Amber cannot recognize it. It always failed
with messages:

checking for mpxlc... no
checking for cmpicc... no
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

I am just wondering how shall I specify that the cluster is using srun
instead of mpirun so that Amber know it correctly? Moreover, if I installed
FFTW in somewhere else instead of system default path, how shall I specify
the FFTW path?

thanks a lot

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Received on Thu May 30 2019 - 00:30:02 PDT
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