[ESPResSo] MPI running but no progress in simulations

[Jun Soo Kim]

Dear ESPResSo users,

I started to use ESPResSo about a week ago. I installed it with LAM/mpi in Intel Xeon machine running with OpenSUSE 11.1, and it seemed to work fine. When I type the below command, all 16 processors are being used 100 %.

>>Espresso input.tcl 16 

However, it is usually being stuck in the middle even though "top" command shows that 16 processors are still running. Each timeset usually takes 1 minute (I wrote a script to show the cpu time for each time set), but even after 1 hour there is no more progress. I found the similar problem in the mailing list (http://fias.uni-frankfurt.de/pipermail/espresso/2007-October/000064.html) but did not work for my case since I started with LAM mpi.

Surprisingly, when I tried the single processor job with >>Espresso input.tcl 1, I did not have any problem of job being stuck, and even more the speed is exactly the same with 16 processor calculation. My guess is that something is wrong with my installation and only a single processor is working even though 16 processors seem to be used. 

I am attaching config.log file just in case. Any comment or advice will be really appreciated.

Thanks,

Jun Soo

config.log
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