[gmx-users] Versions 3.3 beta?

David spoel at xray.bmc.uu.se
Fri Sep 23 19:09:51 CEST 2005

On Fri, 2005-09-23 at 12:12 -0400, Ken Rotondi wrote:
> Hello all,
> I've several installations of GROMACS running, some for production, 
> some for analysis. I was pretty sure it was all being done on the same 
> 3.3 beta release. In trying to run ngmx on one of the trajectories I 
> received this message:
> Reading file p39amd4.tpr, VERSION 3.3_beta_20050202 (single precision)
> -------------------------------------------------------
> Program ngmx, VERSION 3.3_beta_20050202
> Source code file: tpxio.c, line: 1102
> Fatal error:
> reading tpx file (p39amd4.tpr) version 37 with version 35 program
> -------------------------------------------------------
> I read this as reading a .tpr generated with VERSION 3.3_beta_20050202 
> and opening the ngmx program also from VERSION 3.3_beta_20050202. 
> However, the error V.37 w/ V 35 program is issued. Are there more than 
> one sub version of VERSION 3.3_beta_20050202?
> I apologize, as one of my builds is ~100miles away in Boston and I've 
> no easy way to access to check details of the build in real time.

The version indicator for this beta version is not unique and may
indicate different codes. You can try running program -h to see the
version or check the date on the executable. Best would be to try the
new beta.

> Thanks,
> Ken
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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