AMBER Archive (2009)

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

From: German Erlenkamp (german.erlenkamp_at_pharmazie.uni-halle.de)
Date: Tue May 05 2009 - 08:07:13 CDT

Yes, I got Version 11 of the ifort compiler.
Is there another workaround for this problem, or must I drop back to
version 10?

Thanks

German

* Robert Duke; Dienstag, den 05. Mai 2009
> 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
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER_at_ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
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-- 
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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