The problem is exactly what it says:
/scratch//nmr_pqx.vector is not complete.
We can only speculate why this happens. Maybe you again do not have enough
diskspace, or /scratch is not available or
Please note: Chemical shift calculations require not ONE vector file (as normal
scf), but SE
Dear all,
After running "x_nmr_lapw -mode in1 -nodes 5", "x_nmr_lapw -mode testval",
"x_nmr_lapw", the following error occurred:
EXECUTING: /global/software/wien2k-13/bin/nmr -case chiolite -mode current
-green -scratch /scratch/ -noco
k-point 1 ... done, timings (fop
2 matches
Mail list logo
