[gmx-developers] appending problem

[David van der Spoel]

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?
-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se