[Wien] WIEN2k 08 lapw2 error

2008-01-23 Thread Peter Blaha
The error happens when you try to open the "help"-files, i.e. unit 31. a) Is this a "regular lapw2 run", without "-help_files" switch in x lapw2 b) Check your lapw2.def file: It must not contain any line with unit 31. If it does NOT contain unit 31, the program MUST NOT try to open unit 31.

[Wien] WIEN2k 08 lapw2 error

2008-01-22 Thread John Appleton
Dear Users, I'm having a hard time figuring out why WIEN2k 08 runs fine in parallel a shared architecture but lapw2 fails for parallel claculations on a cluster. I get the following error for lapw2 per k-point forrtl: Is a directory forrtl: severe (30): open failure, unit 31,