AMBER Archive (2009)
Subject: [AMBER] pmemd compilation error
From: john smith (johnsmithgr8_at_gmail.com)
Date: Mon Apr 27 2009 - 22:30:21 CDT
I am trying to compile AMBER10 on a cluster based on Intel Xeon QuadCore
I have successfully compiler AmberTools and SANDER and all the test are
passed. but i am facing trouble with pmemd compilation.
I tried to compile pmemd with following flags
./configure linux_emt64t ifort mpich
and it generates the config.h file without any problem
However compilation proceeds for some time and then hangs there with the
fort -c -auto -tpp7 -xP -ip -O3 pmemd.f90
ifort: command line remark #10148: option '-tp' not supported
After searching the list, I tried to compile by removing the -tpp7 flag,
using -xHost, also -mtune=core2, but all attempts were unsuccessful.
When I removed -tpp7 option, then also the compilation stopped at pmemd.f90
When I replaced -tpp7 with -xHost, then compilation stopped at the same
place with following output
ifort -c -auto -xHost -xP -ip -O3 pmemd.f90
ifort: command line warning #10121: overriding '-xHost' with '-xP'
then i tried the compilation with -mtune=core2, which also stopped at the
The process keeps on running, because I can see the fortcom process in the
output of the top command.
I really dont understand what is going wrong here.
I hope somebody will be able to suggest something regarding the solution to
Thanks in advance
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