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From: doelz@urz.unibas.ch
Newsgroups: comp.sys.sgi,bionet.software
Subject: MOPAC problem with multiprocessor Fortran
Message-ID: <1991Jan31.103637.1344@urz.unibas.ch>
Date: 31 Jan 91 09:36:37 GMT
Organization: University of Basel, Switzerland
Lines: 50


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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