[AMBER] Compile Amber 12 with IBM compilers

From: Yubo Fan <pengpengtadie.gmail.com>
Date: Mon, 28 May 2012 10:33:28 -0500

Hello,

I tried to compile Amber 12 on a IBM POWER 7 cluster but there is no
configuration available for IBM P7 in Amber 12 package. I also tried
to duplicate the xlf_suse configuration in Amber 10 to Amber 12 but I
failed figure out all correct parameters. The information about the
computer is listed below:

$ uname -a
Linux biou1.rice.edu 2.6.32-220.13.1.el6.ppc64 #1 SMP Thu Mar 29
11:49:47 EDT 2012 ppc64 ppc64 ppc64 GNU/Linux

$ module avail
--------------------------------------------------------
/opt/apps/modulefiles
--------------------------------------------------------
at/3.0 openmpi/1.4.3-gcc turnin/2.1
at/4.0 openmpi/1.4.3-ibm turnin/3.0(default)
ffmpeg/0.7.6 eme/4.6.1 papi/4.1.2.1
fftw/3.2.2 paraview/3.10.1
gsl/1.14 paraview/3.12.0 vtk/5.8.0
xlc/11.1 xlf/13.1 jdk/ibm-1.6.0-SR10
ncbi-blast/2.2.25 samtools/0.1.18

The I loaded openmpi/1.4.3-ibm, xlc and xlf and then set some envs,
such as 'export MPI_HOME=/opt/apps/openmpi/1.4.3-ibm/'.

mpicc and mpif90 are available at $MPI_HOME/bin.

The manuals for xlc and xlf are attached.

Would you please help me to set the configure for Amber 12?

Thanks,
Yubo


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Received on Mon May 28 2012 - 09:00:03 PDT
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