MOPAC problem with multiprocessor Fortran
doelz at urz.unibas.ch
doelz at urz.unibas.ch
Thu Jan 31 20:36:37 AEST 1991
Hi,
following a post from USENET, I obtained MOPAC (semi-empirical
quantum chemistry application) Version 6.0 from
ouchem.chem.oakland.edu:/pub/unix/ [141.210.108.5] and tried to
compile it on a SGI 4D/320GTX running PFA and IRIX 3.3.2.
I get a compiler warning with O2 without pfa as follows:
f77 -O2 -p -static -c deri2.f
uopt: Warning: harmless compiler bug detected (LDA length 0); please report
to MIPS
Well. This didnt hurt. It runs, with a great performance, and produces
correct output.
I get WARNINGS while trying to compile it with PFA and -mp for multiple
processors, because there are two statements:
C$DOIT with several argumets
C$DOUT VBEST
If I edit them out, the warnings disappear. Other multiprocessor
directives were not found. However, compiling the code is ok, and the linking
(after -O2 -pfa keep -p -static -mp -mp_keep -v) FAILS with the message:
modl [/convex_tmp/mopac] % make
Loading mopac.exe ... /usr/bin/ld:
Undefined:
__mp_simple_sched_
__mp_4th_arg_
*** Error code 1
Stop.
Has anyone seen this behaviour or is there any workaround known ?
Regards
Reinhard
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Dr. Reinhard Doelz * EAN doelz at urz.unibas.ch
Biocomputing * DECNET 48130::doelz
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