Hello,
I have a question according ccsd(f12) and $tmpdir with module ccsdf12:
Since the files within such a calculation can be quite large, I set a $tmpdir to the scratch directory of our cluster/node.
Files appear in this folder but it then cancles, because certain files cannot be found (but is present so far in $tmpdir) [1]
Anyone knows if the program is searching the file in the directory, where the program is executed or something else is the problem?
-> run a simple molecule with ccsdf12 in the working directory itself is no problem and therefore also copy to tmpdir and run it would be a option,
but I want to avoid copying and use rather more tmpdir
Thanks for your help,
Robin
[1] The corresponding part in ccsdf12 output:
++ Starting calculation of 4-idx integrals.++
did not find file:"RIR12_3idx_f+.i.p.A.Re"
Error while opening file: RIR12_3idx_f+.i.p.A.Re
================================== I/O error =================================
I/O module: open_da
last action: open direct access file RIR12_3idx_f+.i.p.A.Re
unit: 19
I/O status: 0
internal status: used
internal filename:RIR12_3idx_f+.i.p.A.Re
file is not yet open
intended record length: 10640
--------------------------------------------------------------
status report for the unit numbers 0 - 199:
--------------------------------------------------------------
unit(s) status access form file name
--------------------------------------------------------------
0 connected SEQUENTIAL FORMATTED "/proc/28000/fd/2"
1 - 4 free
5 connected SEQUENTIAL FORMATTED "/proc/28000/fd/0"
6 connected SEQUENTIAL FORMATTED "/proc/28000/fd/1"
7 - 13 free
14 connected SEQUENTIAL FORMATTED "/home/ccf12/statistics.ccsdf12"
15 connected DIRECT UNFORMATTED "/home/ccf12/RIR12_4idx_f.i.i.p.p.AA.Re"
16 -199 free
--------------------------------------------------------------
==============================================================================
========================
internal module stack:
------------------------
ccsdf12
rir12mp2
rir12grt
cc4idxint
========================
I/O-error
ccsdf12 ended abnormally
