You need to provide more information: 1. Which subprogram failed, mixer or something else? 2. What line in the subprogram (use appropriate debug/line output option for Sun) 3. What is in the error output, and the normal output of the subprogram
N.B., the error information does not make sense to me; writing after the existing end of a file should just extend it. Assuming that this is in mixer, file 22 should be open for read/write by default. Sounds like a Sun compiler bug to me. (Try, maybe, commenting out the line in mixer.F which has write(22,*)':WARNING: K-list has changed') 2011/4/23 pascal boulet <pascal.boulet at univ-provence.fr>: > Dear all, > > I am running jobs to find the cell parameter of a cubic structure. I have > prepared 5 different *vol* files with cell volumes varying between -10% and > +10%. I then submitted > x optimize.job > on a SUN machine. > > At the end of the 1st step of the scf cycle (at the mixer step) the job > failed with the following error message: > > lib-4095 : UNRECOVERABLE library error > ? A WRITE operation is invalid if the file is positioned after the > end-of-file. > > Encountered during a list-directed WRITE to unit 22 > Fortran unit 22 is connected to a sequential formatted text file: > ? "param.scf" > >>?? stop error > ERROR status in param_vol_-10.0 > > > Note that a simple SCF minimization works fine on this machine. > > If I then switch to a SGI machine, the job works fine. > > Does anybody has ever encountered this behaviour? > > Best regards > Pascal > > > -- > > !!!!WARNING: my phone number has CHANGED!!!! > > Dr. pascal Boulet, computational chemist > University of Aix-Marseille I > Laboratoire Chimie Provence, UMR 6264 > Group of Theoretical Chemistry > Avenue Normandie-Niemen > 13397 Marseille Cedex 20 > France > ********** > Tel. (+33) (0)413.55.18.10 > Fax. (+33) (0)491.55.18.50 > ********** > http://www.lc-provence.fr > https://sites.google.com/a/univ-provence.fr/pb-comput-chem > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > > -- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi