Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Mariusz Krawiec
Dear Xavier, You were right ! The problem was with shared memory. The original mpich was installed in that way. I installed my own mpich (mpich2) and everything is fine now. I can run siesta in parallel mode ! Thanks a lot ! Regards, Mariusz. ---

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Lucas Wagner
Mariusz, .bash_profile is only called for login shells, not for rsh or ssh non-login commands. Try putting it in .bashrc. Lucas On 5/31/07, Mariusz Krawiec <[EMAIL PROTECTED]> wrote: Dear Heribert, Of course. I put it into ma .bash_profile file to have it on all nodes. It didn't help. Do yo

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Yurko Natanzon
Additional comment: on some shells "setenv" command should be used instead of "export": setenv P4_GLOBMEMSIZE 5000 to be sure that the variable is really set type "export" or "setenv" without parameters and find P4_GLOBMEMSIZE in the list. On 31/05/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wr

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread [EMAIL PROTECTED]
Mariusz, I don't know how your machine is set up, but it seems at least from the message you get, it didn't work with .bash_profile. Maybe you try it as Yurko suggests: > you're quite right. I also have had this issue for big cells. just try >export P4_GLOBMEMSIZE=5000 >or smth like this, b

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Mariusz Krawiec
Dear Heribert, Of course. I put it into ma .bash_profile file to have it on all nodes. It didn't help. Do you think I should do this before compilation of siesta or just before running? All the best, Mariusz. -- Dr Mariusz K

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Yurko Natanzon
you're quite right. I also have had this issue for big cells. just try export P4_GLOBMEMSIZE=5000 or smth like this, before running siesta - it should work. On 31/05/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote: Dear Mariusz, Did you try what the error message suggests? InitMesh: Mesh c

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread [EMAIL PROTECTED]
Dear Mariusz, Did you try what the error message suggests? InitMesh: Mesh cutoff (required, used) = 225.000 244.755 Ry p0_5146: (60.036989) xx_shmalloc: returning NULL; requested 4976688 bytes p0_5146: (60.036989) p4_shmalloc returning NULL; request = 4976688 bytes => You can increase the amount

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Xavier Cartoixa Soler
Dear Mariusz, It seems to me from the error message that you have compiled mpi with the shared memory device (ch_shmem ?). I seem to remember that the default limits on the memory that could be shared between processors was too low. In any case, recompiling mpi without the use of shared mem

Re: [SIESTA-L] parallel mode problem

2007-05-31 Thread Mariusz Krawiec
Dear Marcos, Thanks for your suggestions. Changing optimization from O3 to O2 didn't help but the problem, as you suggested, is probably in mpi or libraries. At the momemnt I can run parallel siesta to the point where the memory is checked. Then it crashes. Here is a part of out file: InitM