Error comes for Spin-Orbit calculation
Posted: Wed Jun 30, 2010 7:01 pm
Hello,
I have compiled VASP 5.2 with pgf90 compiler on 64 bit machine. I compiled it both for SO calculation. It gets compiled properly. I is working properly for no SO calculation. But when I run S-O calculation for any system It shows the following error:
vasp.5.2.2 15Apr09 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Pade appr. of Perdew
PGFIO-F-235/formatted write/unit=8/edit descriptor does not match item type.
File name = OUTCAR formatted, sequential access record = 1669
In source file relativistic.f, at line number 487
Does anyone has any idea how to tackle with this problem.
Thanks in advance.
I have compiled VASP 5.2 with pgf90 compiler on 64 bit machine. I compiled it both for SO calculation. It gets compiled properly. I is working properly for no SO calculation. But when I run S-O calculation for any system It shows the following error:
vasp.5.2.2 15Apr09 complex
POSCAR found : 1 types and 2 ions
LDA part: xc-table for Pade appr. of Perdew
PGFIO-F-235/formatted write/unit=8/edit descriptor does not match item type.
File name = OUTCAR formatted, sequential access record = 1669
In source file relativistic.f, at line number 487
Does anyone has any idea how to tackle with this problem.
Thanks in advance.