On 06/09/11 16:48, Huw Jenkins wrote: > On 25 Aug 2011, at 14:12, Gregory Bowman wrote: > >> When I try to run ARP/wARP classic for loop building, I get the following >> message in the logfile: >> >> QUITTING ... ARP/wARP module stopped with an error message: >> REFMAC > > I get the same error running auto_tracing.sh from ARP/wARP 7.2. (CCP4 6.2.0, > OS X 10.6.8) > > As a work-around getting ARP/wARP to use the refmac binary from > http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_experimental/refmac5.6_macintel.tar.gz > (version 5.6.0119) allows ARP/wARP to run. > > Some information that may help work out what the problem is below: > > The only helpful error message I get in the logs is: > > At line 723 of file > /sw64/src/fink.build/ccp4-6.2.0-102/ccp4-6.2.0/src/refmac5_/read_extra_restraints.f > (unit = 9, file = '/tmp/huwtj/refmac5_temp1.53659_BOND_R') > Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, > possibly use REWIND or BACKSPACE > > ### CCP4 6.2: Refmac_5.6.0117 version 5.6.0117 : 13/06/11## > > QUITTING ... ARP/wARP module stopped with an error message: > REFMAC5 > > At first I thought this was a 32/64bit issue but after compiling CCP4 as > 32bit I get exactly the same error: > > At line 723 of file > /sw/src/fink.build/ccp4-6.2.0-102/ccp4-6.2.0/src/refmac5_/read_extra_restraints.f > (unit = 9, file = '/tmp/huwtj/refmac5_temp1.81086_BOND_R') > Fortran runtime error: Sequential READ or WRITE not allowed after EOF marker, > possibly use REWIND or BACKSPACE > > ### CCP4 6.2: Refmac_5.6.0117 version 5.6.0117 : 13/06/11## > > QUITTING ... ARP/wARP module stopped with an error message: > REFMAC5 > > In both cases this is CCP4 built/installed by fink on OS X 10.6.8. > > When I try to compile refmac from the latest source code with gfortran 4.6.1 > I get a lot of warnings (which go away if I add -fno-whole-file to XFFLAGS) > and the executable produced fails in the same way when called by > auto_tracing.sh. This suggests to me it's a compiler issue not any > differences between refmac 5.6.0117 and 5.6.0119, unfortunately that's about > the limit of my understanding. > > Hopefully some of that is useful to someone! > > > Huw
Hi Huw, I recently found the same problem and solved it by compiling refmac 5.6.0119 using gnu compilers from the 4.4 series (4.4.6 I think). I'm attaching the makefiles I used. However, this will only work if you compile the whole ccp4 suite with the same compilers... To do it I ran: source <...wherever_CCP4_is...>/include/ccp4.setup-sh FC=gfortran F77=gfortran CC=gcc-4 CXX=g++-4 ./configure --with-netlib-lapack 2>&1 | tee configure.log make 2>&1 | tee make.log make install 2>&1 | tee install.log Using Apple lapack libraries didn't work. HTH. -- Miguel Architecture et Fonction des Macromolécules Biologiques (UMR6098) CNRS, Universités d'Aix-Marseille I & II Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France Tel: +33(0) 491 82 55 93 Fax: +33(0) 491 26 67 20 mailto:miguel.ortiz-lombar...@afmb.univ-mrs.fr http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
makerefmac.tgz
Description: GNU Zip compressed data
