AMBER Archive (2009)

Subject: Re: [AMBER] pmemd compilation error

From: Robert Duke (
Date: Mon Apr 27 2009 - 23:09:15 CDT

This seems likely to be a compiler version-specific problem (ie., compilers,
being software, can have bugs...). I would recommend trying a different
version of ifort. I have lately been using ifort 10.1.021 without problems
myself (ifort -V will give you your version).
Regards - Bob Duke
----- Original Message -----
From: "john smith" <>
To: <>
Sent: Monday, April 27, 2009 11:30 PM
Subject: [AMBER] pmemd compilation error

> Hi all
> I am trying to compile AMBER10 on a cluster based on Intel Xeon QuadCore
> processor.
> 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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