Re: [SIESTA-L] Problem of parallel siesta 2.0

2007-02-12 Thread Oleksandr Voznyy
* Running in serial mode with MPI Is this a error in the compilation plz help me in this regard. You have to specify that you need parallel version using -DMPI in your compiler flags FPPFLAGS= -DMPI -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DGRID_DP

[SIESTA-L] Problem of parallel siesta 2.0

2007-02-12 Thread bipul rakshit
hello siesta users, in continuation of the previous mail, here i am sending my arch.make file for my second question, that why at the start of the output file it is written that, * Running in serial mode with MPI Is this a error in the compilation plz help me in this regard.

[SIESTA-L] Problem of parallel siesta 2.0

2007-02-12 Thread bipul rakshit
hello siesta user, i able to install siesta in parallel computer... But when i run the siesta command using the following command mpich.gen siesta.sh -np 4 -linux -queue medium_2h -out sms.out12 there is an error in the sms.out12 file... Feb 12 11:28:33 2007 26297 4 6.2 checkPJLStart