problem reading PBE(?) POTCAR files
Posted: Wed Mar 07, 2007 6:11 pm
Apolgies if this has been addressed before and I missed it.
I have encountered problems reading POTCAR files, particularly PAW-PBE files. For example, I can read the O_s pbe potcar file, but for the O and O_h pbe files I get the message:
"1525-110 The data edit descriptor E is used in a formatted READ statement with a data item of the wrong type or size."
I downloaded and uncompressed the potcar files the same way, and I don't see any obvious problems in the files that don't work - ex., no extra characters.
Any suggestions would be appreciated.
I am running VASP 4.6 on a G5 cluster. I use an openmpi stack that is compiled using IBM's xlf version 9.1. The operating system is Yellow Dog for PPC (64 bit) on Linux kernel 2.6.16-1 (with SMP support).
This all worked fine on a different machine.
Dave
I have encountered problems reading POTCAR files, particularly PAW-PBE files. For example, I can read the O_s pbe potcar file, but for the O and O_h pbe files I get the message:
"1525-110 The data edit descriptor E is used in a formatted READ statement with a data item of the wrong type or size."
I downloaded and uncompressed the potcar files the same way, and I don't see any obvious problems in the files that don't work - ex., no extra characters.
Any suggestions would be appreciated.
I am running VASP 4.6 on a G5 cluster. I use an openmpi stack that is compiled using IBM's xlf version 9.1. The operating system is Yellow Dog for PPC (64 bit) on Linux kernel 2.6.16-1 (with SMP support).
This all worked fine on a different machine.
Dave