Re: amber-developers: G95 64 bit problems.

From: David A. Case <>
Date: Tue, 28 Mar 2006 16:23:12 -0700

On Tue, Mar 28, 2006, Ross Walker wrote:

> g95 x86_64 - 32 bit no MKL = Pass
> g95 x86_64 - 32 bit MKL 8.0.2 = Pass
> g95 x86_64 - 64 bit no MKL = Fails on cytosine and all LES_GB
> - testing ended at ptraj with a seg fault. See attached Log file.

What do you mean by "32 bit" and "64 bit" here? Are you referring to the
default size of integers? Certainly one should hardly be surprised if
default integers of 64 bits mess things up, especially if system libraries
and C-compiled code are not all compiled exactly the same way.

I guess we should post a note somewhere about using the correct version of
g95 on x86_64 machines.

[Obviously, ignore these comments if what you mean by "32-bit" and
is different than what I am assuming.]

> isn't ptraj all in c?

You can figure this out for yourself, I am sure, by taking a look at its

> targetted MD fails with a DGEEV error and all of the divcon tests also
> with Double Linked List Corruption Errors???

?? What do these errors look like?

Received on Wed Apr 05 2006 - 23:49:33 PDT
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