[gmx-users] Problem with size of trr file in Gromacs3
David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 25 14:27:29 CEST 2001
On Wed, 24 Oct 2001 sgaray at fbcb.unl.edu.ar wrote:
>Hi
>
>My name is Sergio Garay, and I'm working with Gromacs 3.0
>compiled in my PC (PIII, two hard disk 20 a 30 GB, 512 Mb ram
>memory, and Red Hat 7.1). When my trr file is around 2 GB, the
>run is stoped with the follow message:
>The max file size is riched (or something like that)
>I had not this problem with gromacs 2.0.
>The working directory has not quotas.
This is a linux problem. You can not make files larger than 2 Gb.
The solution is to use xtc files (3 times smaller than trr files), and cut
your run into shorter pieces
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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