Hi,
I have been running some large test TCE CCSD jobs with
2eorb
2emet 6
idiskx 1
set. Smaller jobs ran OK, but after increasing the number of electrons and basis functions in the job (by adding another molecule but keeping the number of non-frozen orbitals constant), I ran into the error
[code]
size_4a_m(i) 25 900429304
-----------------------
after sf_create
SF_READ_WAIT ERROR CODE = -1990
FU 42 264378 8654107050 3577815
zones put: sf problem2x1 1
------------------------------------------------------------------------
[\code]
I can track the source down to one of several TCE files. Taking tce_mo2e_disk_2eorb.F as an example, it looks like an sf_write fails. tools/pario/sf/shared.files.c shows this routine calls elio_awrite, defined in pario/elio/elio.c. THAT routine has the following:
[code]
...
- elif defined(CRAY)
rc = WRITEA(fd->fd, (char*)buf, bytes, &cb_fout[aio_i].stat, DEFARG);
stat = (rc < 0)? -1 : 0;
...
- else
stat = aio_write(cb_fout+aio_i);
[\code]
However, for the build, it seems like only CRAYXT is defined, not CRAY.
1. Does the error I'm seeing seem like it would be caused by calling aio_write rather than WRITEA? What would a return code of -1990 imply?
2. Should I modify source so that elio.c tests for "CRAYXT" rather than "CRAY", enabling the Cray WRITEA call rather than aio_write?
Sorry for the formatting, apparently the "code" tags aren't working.
Thanks,
Chris
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