[Wien] Changes in case_xx.def files

2010-07-29 Thread Marcos VerĂ­ssimo Alves
Hi Laurence, I will try all you have said. I didn't know about the -assu buff option - I suppose it is valid for ifort, right? My scratch is already set. In fact, it was one of the variables I had the care to set, because I saw the size of the vector files (scary...) Finally, no problem with

[Wien] Changes in case_xx.def files

2010-07-29 Thread Laurence Marks
2010/7/28 Marcos Ver?ssimo Alves marcos.verissimo.alves at gmail.com: Hi Laurence, I will try all you have said. I didn't know about the -assu buff option - I suppose it is valid for ifort, right? Yes, it is a standard ifort option. From the man page: Some compiler options have the form -name

[Wien] Changes in case_xx.def files

2010-07-29 Thread Marcos VerĂ­ssimo Alves
Hm, interesting, something else to try. About the two hours for the lapw1 cycle, it was mostly because I had mistyped RKMAX. For some weird reason I had placed 9 instead of 7.5... Now that I replaced it by 7.5, and performed ipo in the compilation, the time went down to 35 minutes on the slowest

[Wien] Changes in case_xx.def files

2010-07-28 Thread Laurence Marks
This could be quite a lot of work. Some simpler suggestions: 1) In param.inc in SRC_lapw[0-2] change to PARAMETER (restrict_output= 1) This will reduce the size of the log files 2) Use -assu buff in your compilation options -- this writes data in big chunks not line-by-line and is