MOPAC problem with multiprocessor Fortran

doelz at urz.unibas.ch doelz at urz.unibas.ch
Thu Jan 31 04:36:37 EST 1991

following a post from USENET, I obtained MOPAC (semi-empirical 
quantum chemistry application) Version 6.0 from 
ouchem.chem.oakland.edu:/pub/unix/ [] 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

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:
*** Error code 1


Has anyone seen this behaviour or is there any workaround known ? 


    Dr. Reinhard Doelz            *     EAN     doelz at urz.unibas.ch
      Biocomputing                *     DECNET  48130::doelz
Biozentrum der Universitaet       *     X25     psi%46211142::embnet
   Klingelbergstrasse 70          *     FAX     x41 61 256760
     CH 4056 Basel                *     TEL     x41 61 253880 ext 888

More information about the Bio-soft mailing list

Send comments to us at biosci-help [At] net.bio.net