[Wien] about x lapw1 -nmat_only (3)

2011-01-07 Thread Peter Blaha
I can't believe that you cannot find out where the results are for 3 days. UG: Search for nmat and you will find case.nmat_only cat lapw1.defand you can see the files read/written by lapw1. Then guess the proper file ls -alsrt this lists all files according to their creation

[Wien] about x lapw1 -nmat_only

2011-01-05 Thread Peter Blaha
case.vsp is generated by lapw0 in the first scf cycle. ls -als *vsp* You should see case.vsp_st (generated by lstart) and cp case.vsp_st case.vsp x lapw1 -nmat_only Am 05.01.2011 09:05, schrieb Aboudi Hamouda: Dear Wien2k developers and users, I am trying to run a openmpi calculation but

[Wien] about x lapw1 -nmat_only (2)

2011-01-05 Thread Aboudi Hamouda
Dear Peter, Many thanks for your help. I have followed your instruction and I still have an error x lapw1 -nmat_only At line 20 of file rdswar_tmp_.F (unit = 19, file = 'sub6.vns') Fortran runtime error: Read past ENDFILE record 2.457u 0.004s 0:02.47 99.1% 0+0k 0+0io 0pf+0w Have you an

[Wien] about x lapw1 -nmat_only (3)

2011-01-05 Thread Aboudi Hamouda
Dear Peter, Many thanks. It seems working but i need to know in which file, I can find the result : the size of the matrix M ? Best regards, -- next part -- An HTML attachment was scrubbed... URL: