[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Maxim Rakitin
Hi, It looks like Intel's mpirun doesn't have '-machinefile' option. Instead of this it has '-hostfile' option (form here: http://downloadmirror.intel.com/18462/eng/nes_release_notes.txt). Try 'mpirun -h' for information about options and apply appropriate. Best regards, Maxim Rakitin

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Wei Xie
Hi Maxim, Thanks for your reply! We tried MPIRUN=mpirun -np _NP_ -hostfile _HOSTS_ _EXEC_, but the problem persists. The only difference is that stdout changes to ''? MPI: invalid option -hostfile ?''. Thanks, Wei On Oct 31, 2010, at 10:40 PM, Maxim Rakitin wrote: Hi, It looks like

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Maxim Rakitin
Dear Wei, Maybe -machinefile is ok for your mpirun. Which options are appropriate for it? What does help say? Try to restore your MPIRUN variable with -machinefile and rerun the calculation. Then see what is in .machine0/1/2 files and let us know. It should contain 8 lines of r1i0n0 node and

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Lyudmila V. Dobysheva
01 Nov 2010 02:56:47 Wei Xie wrote: We encountered some problem when running in parallel (K-point, MPI or both)--the calculations crashed at LAPW2. Note we had no problem running it in serial. This is a TiC example running Dear Wei, Isn't the error connected with spin-polarised -

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Wei Xie
Hi Maxim, Thanks for the follow-up! I think it should be -machinefile that's appropriate. Here's the help: -machinefile # file mapping procs to machine No -hostfile option mentioned for my current version of MPI in the help. Yes, the machine0/1/2 files are exactly like what

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Maxim Rakitin
Hi Wei, The parallel_options file manages how parallel programs run, so change the following line in it: setenv WIEN_MPIRUN mpirun -np _NP_ -hostfile _HOSTS_ _EXEC_ to setenv WIEN_MPIRUN mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ Your .machine0/1/2 files are correct, Also I believe

[Wien] LAPW2 crashed when running in parallel

2010-11-01 Thread Wei Xie
Dear Lyudmila, On Nov 1, 2010, at 8:36 AM, Lyudmila V. Dobysheva wrote: 01 Nov 2010 02:56:47 Wei Xie wrote: We encountered some problem when running in parallel (K-point, MPI or both)--the calculations crashed at LAPW2. Note we had no problem running it in serial. This is a TiC example

[Wien] LAPW2 crashed when running in parallel

2010-10-31 Thread Wei Xie
Dear all WIEN2k community members: We encountered some problem when running in parallel (K-point, MPI or both)--the calculations crashed at LAPW2. Note we had no problem running it in serial. We have tried to diagnose the problem, recompile the code with difference options and test with