Hello, Further investigation (and lots of help from Huw Jenkins) has confirmed that the following error:
### CCP4 6.2: Refmac_5.6.0117 version 5.6.0117 : 13/06/11## QUITTING ... ARP/wARP module stopped with an error message: REFMAC5 occurs to most ARP/wARP classic model building jobs when used with the Fink CCP4 version 6.2.0-102. Also, as suggested yesterday on this board, the error occurs when CCP4 has been compiled with gcc/gfortran 4.6.1. There are two main workarounds at the moment. The easiest is to turn off conditional restraints as shown in the image linked below: http://min.us/moKdRlW4l The other is to compile Refmac with gfortran version 4.4. This error only appears in the lastest Fink compiled version of CCP4 - the DMG installed binaries of CCP4 do not exhibit this problem. We are trying to find the underlying cause of the problem and I hope that this error isn't causing too much inconvenience. Saul Hazledine On Sep 6, 2011, at 4:48 PM, 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
