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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi all, For your information, my original post was: > Dear all, > > I have a weird problem running Molrep on a Mac OS X (PowerPC). I > installed molrep together with all the ccp4 suite from the fink packages > maintained thanks to W. Scott. > > Any molrep job I start (either from the ccp4i GUI or from the command > line) ends in an error such as this: > > ###################################################################### > > (...) > > Sol_RF 29 142.19 -89.52 179.95 90.52 75.62 89.55 19.27 > 1.10 > Sol_RF 30 90.00 80.08 180.00 0.00 180.00 19.83 19.16 > 1.09 > Final number of peaks : 30 > * Plotfile: molrep_rf.ps > Open failed: Unit: 9, File: > /tmp/mol/molrep_temp1.03523selfrot_srf.dat (logical: > /tmp/mol/molrep_temp1.03523selfrot_srf.dat) > <B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN--> > Last system error message: Bad file descriptor > MOLREP(ccp4)9.2.10: Open failed: File: > /tmp/mol/molrep_temp1.03523selfrot_srf.dat > > MOLREP(ccp4)9.2.10: Open failed: File: > /tmp/mol/molrep_temp1.03523selfrot_srf.dat > > Times: User: 223.2s System: 9.6s Elapsed: 6:21 > </pre> > </html> > <!--SUMMARY_END--></FONT></B> > > ###################################################################### > > So, the program runs up to a certain point and then stops. Some of the > intermediate and output files are created (in the /tmp directory) and > some information written in them (for example the postscript file shows > only two Chi sections) > > I'm wondering if Molrep may be trying to write two files with the same > name only distinguished (in a UNIX filesystem) by letter-case. This is > not supported in the Mac OS X plus (with register) filesystem. > > But perhaps the problem is somewhere else... I would appreciate any clues. > > I verified the disk and its permissions and no errors (other than minor > concerning unrelated permissions) were reported. > > Thanking you in advance for your help, > > > Miguel I found that compiling ccp4 with g77, fort77/f2c (by editing the ccp4.info file of the fink distribution) solved the problem. I run all the tests ($CEXAM/unix/runnable/run-all) with only one problem: cpirate seemed to hang ( I waited for a couple of hours) I manually run then the exam for phaser and was passed. I have not spotted other problems with ccp4 compiled this way, so if you use molrep under MacOSX you may want to compile it in the old way (that is, not with gfortran) Cheers, Miguel - -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 email: [EMAIL PROTECTED] www: http://www.ysbl.york.ac.uk/~mol/ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Je suis de la mauvaise herbe, Braves gens, braves gens, Je pousse en liberté Dans les jardins mal fréquentés! Georges Brassens -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.1 (GNU/Linux) iD8DBQFEkWPQF6oOrDvhbQIRAoXxAKCKEPTr79YtLhD8itJCW8yTPorTkgCbBZ5f SSpnXe5spQKLSLxegfQjhvQ= =E8ib -----END PGP SIGNATURE-----
