Re: [AMBER] Problems with Amber installation

From: Pinchas Aped <aped.biu.ac.il>
Date: Tue, 31 Mar 2015 18:07:09 +0300

Dear Prof. Monard

Thanks a lot for your quick response.

Before attempting the parallel installation, I typed -

which mpif90

and the response was -

/usr/local/bin/mpif90

Thus, I have assumed that a parallel compiler is installed in my system and
Is available via the default path.

-----Original Message-----
From: Gerald Monard [mailto:Gerald.Monard.univ-lorraine.fr]
Sent: Tuesday, March 31, 2015 5:28 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Problems with Amber installation

Hi,

To install the parallel version of Amber, you need to have a parallel
compiler, something usually called "mpif90" (and friends). Your log states
that the configure script didn't find such compiler.

Please check Chapter 2 - step 8 of the Amber manual. If you don't have any
MPI version install, you can download and install easily in the
AmberTools/src directory either openmpi or mpich.

Gerald.

On 03/31/2015 03:45 PM, Pinchas Aped wrote:
> Dear Amber developers and users:
>
>
>
> We are using the Linux system (Red Hat Enterprise Linux Server release
> 5.11 (Tikanga)),
>
> on Intel Xeon 16 cores servers. We have tried to install Amber14 on
> one of these servers.
>
> The 1st step (single processor) seems to work OK. When we try to
> compile the parallel (MPI)
>
> version, we got error messages after applying "configure -mpi.
>
>
>
> I would greatly appreciate your help on this. The printout of the
> command is attached.
>
>
>
>
>
> Thanks a lot in advance for your help
>
>
>
> Sincerely
>
>
>
> Pinchas Aped
>
>
>
>
>
> Dr. Pinchas Aped Tel.: (+972-3) 531-7683
> Department of Chemistry FAX : (+972-3) 535-1250
> Bar-Ilan University E-Mail: <mailto:aped.biu.ac.il>
> aped.biu.ac.il
> 52900 Ramat-Gan, ISRAEL
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

--
____________________________________________________________________________
  Prof. Gerald MONARD
  SRSMC, Université de Lorraine, CNRS
  Boulevard des Aiguillettes B.P. 70239
  F-54506 Vandoeuvre-les-Nancy, FRANCE
  e-mail : Gerald.Monard.univ-lorraine.fr
  tel.   : +33 (0)383.684.381
  fax    : +33 (0)383.684.371
  web    : http://www.monard.info
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Received on Tue Mar 31 2015 - 08:30:03 PDT
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