AMBER Archive (2009)

Subject: Re: [AMBER] Problems with PMEMD installation for AMBER10

From: Robert Duke (rduke_at_email.unc.edu)
Date: Tue May 05 2009 - 08:00:54 CDT

Do you perhaps have a version 11 of ifort? (do ifort -V to see your
version). Problems with version 11 of ifort have been reported by other
users (this is a compiler bug, not a pmemd bug). The solution is to drop
back to version 10 of ifort - I know that version 10.1.021 works.
Best Regards - Bob Duke
----- Original Message -----
From: "German Erlenkamp" <german.erlenkamp_at_pharmazie.uni-halle.de>
To: "Amber User" <amber_at_ambermd.org>
Sent: Tuesday, May 05, 2009 8:40 AM
Subject: [AMBER] Problems with PMEMD installation for AMBER10

> Hi Amber-Users.
>
> I'm trying to install PMEMD for AMBER10.
> I made
>
> ./configure linux_em64t ifort lam
>
> and the
>
> make install
>
> When it comes to the part:
>
> /lib/cpp -traditional -P -I/cvos/shared/apps/amber/9/openmpi//include \
> -DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS \
> -DDIRFRC_NOVEC -DFFTLOADBAL_2PROC pmemd.fpp pmemd.f90
> mpif90 -c -auto -xT -ip -O3 pmemd.f90
>
> nothing more happen. The only way to stop this is to kill the process.
>
> I used the same procedure for AMBER9 and it worked pretty well.
>
> How can I solve this problem?
>
> Thanks in advance.
>
> German
>
>
> --
> German Erlenkamp
> Institut fuer Pharmazeutische Chemie
> Martin-Luther-Universitaet Halle
> Wolfgang-Langenbeck-Str.4
> 06120 Halle/ Saale
>
> E-Mail: german.erlenkamp_at_pharmazie.uni-halle.de
> Phone: (49)345 - 55 25 043
>
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>

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