[gmx-developers] appending problem

[Berk Hess]

This is not so strange. The log file opening code was quite complex.
I fixed it (this also fixes a segv with -seppot -cpi) and this actually
makes
the code simpler!

Berk

On 08/15/2010 10:11 PM, David van der Spoel wrote:
> Sorry for all the spamming, I did find another strange problem
> appending my REMD run:
>
> output files present: mutant22.trr mutant22.xtc mutant22.edr
> output files not present or named differently: mutant22.log
>
> (on all 32 nodes), however, the files do exist:
>
> [neolith1:mutant/REMD] % ls -l mutant22*
> -rw-r--r-- 1 x_davva x_davva     635276 Aug 15 21:34 mutant22.cpt
> -rw-r--r-- 1 x_davva x_davva    8650172 Aug 15 21:34 mutant22.edr
> -rw-r--r-- 1 x_davva x_davva    1813391 Aug  7 14:47 mutant22.gro
> -rw-r--r-- 1 x_davva x_davva   10078055 Aug 15 21:34 mutant22.log
> -rw-r--r-- 1 x_davva x_davva     635276 Aug 15 21:34 mutant22_prev.cpt
> -rw-r--r-- 1 x_davva x_davva   42264672 Aug 15 21:27 mutant22.trr
> -rw-r--r-- 1 x_davva x_davva 1191639216 Aug 15 21:34 mutant22.xtc
>
> The command line is:
>
> mpprun `which mdrun` -nice 0 -s kkk -replex 2500 -multi 32 -deffnm
> mutant -v -dlb auto -maxh 23 -cpi -append
>
> This is now with the latest head code. Any clues?