AMBER Archive (2001)

Subject: RE: AMBER6 on IBMSP3 Installation

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Tue Mar 20 2001 - 13:53:07 CST


Dear Spraggins,
        Thanks for your interest. I tried with this option but no
success... Is there anythingelse I might try?

Best wishes,
-Sanjeev

___________________________________________________________________________

NAMELIST is kind of strange with IBM's Fortran. There's an "old" format and
a "new" one. I believe you want the old one; the deafult is the new one.

Try setting an environment variable:

export XLFRTEOPTS="namelist=old"

to force the run-time system to use the old format. There's also a
SETRTEOPTS call one can make in a program, but I've never tried that.

Hope this helps.

Tom Spraggins
tas_at_virginia.edu

-----Original Message-----
From: Sanjeev B.S. [mailto:sanjeev_at_mbu.iisc.ernet.in]
Sent: Tuesday, March 20, 2001 9:07 AM
To: The AMBER Mail Reflector; David Skinner
Subject: AMBER6 on IBMSP3 Installation

Hello,
        While trying to compile on IBM SP3 (with different MACHINE files
that I got from the mailing list), I face this typical problem. As I start
sander, it comes out with the error:

---
1525-090 The NAMELIST READ statement cannot be completed because an
incorrect character was encountered in a NAMELIST group name or item name.
The program will recover by discontinuing further processing of the READ
statement.
---

It does one step in sander and then stops! Can anyone kindly let me know how to go about this please?

The input tested aganist AMBER5 succesfully (on SGI-Power Challange) was used to test AMBER6 compilation. Also, with test runs with the sample files that come with AMBER6, it gives the same error. So I presume that this is not a problem with my input.

Thanking you in advance, -Sanjeev