Subject: molpro96.4 on an SPP2000

From: Stefan Portmann <[email-masked]>
Date: Thu, 19 Feb 1998 07:26:21 GMT

Hi

I tried to compile molpro96.4 on an HP/EXEMPLAR SPP-2000. The testjobs
c2h4_d2 and o2_vtz failed the test. Both fail in the PROGRAM * RHF-SCF in
iteration 4 where ENERGY and 2-EL.EN. are different to the reference file. In
both cases the SCF does not converge.

Did anybody compile molpro successfully on a SPP-2000 (HP-UX pollux B.10.01 U
9000/889)?

Any hints are welcome!

Stefan

-- 
Dr. Stefan Portmann
CSCS/SCSC
Centro Svizzero di Calcolo Scientifico
Chemistry Software Support
Via Cantonale
CH-6928 Manno, Switzerland

Phone (Manno): +41 (91) 610 82 65
Phone (Zurich): +41 (1) 632 57 82
Fax (Manno): +41 (91) 610 82 82
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e-mail: [email-masked]