AMBER Archive (2009)
Subject: Re: [AMBER] pmemd compilation error
From: john smith (johnsmithgr8_at_gmail.com)
Date: Tue May 05 2009 - 06:20:08 CDT
Thank you Robert
As per your sugesstions I had contacted our system administrator and
found that the intel fortran compiler which we were using was version
Later he installed the the version 10, and he has successfully
compiled the pmemd.
Once again Thanks a lot for your suggestion
On 4/28/09, Robert Duke <rduke_at_email.unc.edu> wrote:
> 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" <johnsmithgr8_at_gmail.com>
> To: <amber_at_ambermd.org>
> 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
>> 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
>> 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
>> the problem
>> Thanks in advance
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