[Wien] k point parallel mode

2011-12-30 Thread Laurence Marks
To make the file, you use an editor (nothing more or less) and put the file in the directory where you are running the job. I have not looked, but there is probably something in w2web to do this. N.B., the code does not use OMP anywhere (at present) so this will not do anything. 2011/12/30

[Wien] k point parallel mode

2011-12-30 Thread Peter Blaha
To make the file, you use an editor (nothing more or less) and putthe file in the directory where you are running the job. I have notlooked, but there is probably something in w2web to do this. N.B., the code does not use OMP anywhere (at present) so this will notdo anything. Just a small

[Wien] k point parallel mode

2011-12-30 Thread Laurence Marks
A comment on Peter''s comment. OMP_NUM_THREADS might have an effect, but the parameter is really MKL_NUM_THREADS if you are using Intel's mkl library -- and even then the compiler makes it's own decisions about how many it will use and this varies with version of the compiler (and probably what

[Wien] k point parallel mode

2011-12-30 Thread susanta mohanta
Thanks for this suggestions. I am using ifort (version 12 update 3) and mkl. i am trying to make the .machine file for k point parallel mode and inform you if any problem persists. On Fri, Dec 30, 2011 at 5:32 PM, Laurence Marks L-marks at northwestern.eduwrote: A comment on Peter''s comment.