From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Thu Jan 03 2019 - 13:19:20 CST
Does it occur over and over again? Could be I/O issue with your scratch disk.
On Mon, Dec 31, 2018 at 2:47 AM Francesco Pietra <chiendarret_at_gmail.com> wrote:
>
> Hi all:
> During npt equilibration with restraints (single node of a cluster with 36 core and four tesla gpus, namd night build) the simulation crashed with
>
> colvars: Writing the state file "./npt_restr-02.restart.colvars.state".
> FATAL ERROR: Unable to open text file ./npt_restr-02.restart.colvars.state: File
> exists
>
> These are three distance colvars for both ligands.
>
> This problem did not occur with npt_restr-01. Also, it did not occur with npt_restr-02 in a series of related simulations (same receptor and ligand, with the latter in a different pose).
>
> I understand that I am providing little info, but I was unable to find any error in the input, or previous, files.
>
> Thanks for any suggestion
> francesco pietra
>
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