AMBER Archive (2008)

Subject: AMBER: RE: AMBER 10 failure to run in UBUNTU

From: Peseckis, Steven M. (SPeseck_at_UTNet.UToledo.Edu)
Date: Sun Jun 29 2008 - 19:13:38 CDT

The errors we encountered in testing Sander after compiling AMBER 10 was
reproducible on two different machines, each with the following "uname
-a."

Linux basedeck 2.6.24-19 generic #1 SMP Wed Jun 18 14:43:41 UTC 2008
i686 GNU/Linux

We will investigate using a different compiler and/or compiler version
as you suggest.

Thank you for your help.

Steven Peseckis

-----Original Message-----
From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
Of David A. Case
Sent: Friday, June 27, 2008 2:55 PM
To: amber_at_scripps.edu
Subject: Re: AMBER:

On Thu, Jun 26, 2008, Peseckis, Steven M. wrote:
>
> We are attempting to compile and install Amber 10 on a PC running
Ubuntu
> Linux 8.04, with gcc and gfortran version 4.2.3. We are able to
complete
> make serial with some minor warnings about go to commands and block
scope,
> but when we try to run the tests via make test, we get:
>
> cd dmp && ./Run.dmp
> At line 686 of file _mdread.f
> Fortran runtime error: Missing initial left parenthesis in format
>
> ./Run.dmp: Program error
> make: *** [test.sander.BASIC.nopar] Error 1

What cpu do you have (i.e. what is the result of "uname -a"?)

It's weird that no one else has reported this, but some other
ncsu-related
things seem to be broken with earlier versions of gfortran. I've not
had
problems with gfortran 4.4.0, but I don't have exactly your
configuration
either.

If it's possible, upgrading gfortran is certainly one thing to try.
Another
workaround might be to use g95 (but gfortran is "supposed" to work).

...good luck...dac

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