AMBER Archive (2009)

Subject: [AMBER] pmemd compilation error

From: john smith (
Date: Mon Apr 27 2009 - 22:30:21 CDT

Hi all
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
following message

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
same place.

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
the problem

Thanks in advance
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