AMBER Archive (2008)

Subject: AMBER: Compilation of PMEMD

From: sudipta sinha (sudipta.mml_at_gmail.com)
Date: Thu May 08 2008 - 06:07:28 CDT

Dear All,

            We need your help for installation of PMEMD. Our platform is
x86_64 and the OS is RHEL-4 with kernel version 2.6.9-67.ELsmp. Our fortran
compiler is g95. To make the config.h file with those thing, we make
linux64_opteron.f90.mpich2 file manually by combining linux64_opteron.ifort
and interconnect.mpich2 in the config_data directory and then put the
command

$./configure linux64_opteron ifort mpich2

Then I manually changed the ifort by g95. But it is showing lot of errors
when we put $make install command.

So, can you please tell me where is my wrong? and also, are there other
procedure to generate the config.h file? We are eger for your early reply.

Thanks and regards
sudipta

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