Re: [ccp4bb] "Child Killed" error in SCALA

2013-03-07 Thread Francois Berenger
You can try to run your program under strace in order to get more info about what went wrong. Look at the end of the trace to have an idea. strace On 03/08/2013 02:47 AM, Roger Rowlett wrote: OK, here is a strange one: I have 4 client machines (3 absolutely identical hardware) all running ccp4

[ccp4bb] xtal programs free to non-academic users

2013-03-07 Thread Rongjin Guan
Dear All, Sorry for a non-ccp4 question. I ask this question for a small starting company who wants to find out which programs are available free of charge for non-academic users. The ones I am familiar with all are free to academic users but not free to non-academic users. Would any one pl

[ccp4bb] "Child Killed" error in SCALA

2013-03-07 Thread Roger Rowlett
OK, here is a strange one: I have 4 client machines (3 absolutely identical hardware) all running ccp4i from a central server and 2 of the 4 machines (always the same 2) will fail when running a certain scala job with a "child killed" error. I can run the same job on the 2 "good" machines. All

Re: [ccp4bb] Problem in running ARP_WARP in CCP4i

2013-03-07 Thread Victor Lamzin
Dear Karthikeyan, It may indeed be too long length of your PATH variable. Can you also type echo $PATH | wc -c and see what the output is? On my Mac it is 641. With best regards, Victor On 07/03/2013 14:38, S. Karthikeyan wrote: Dear CCP4BB members, I am trying to run arp_warp classic (7.3

Re: [ccp4bb] Problem in running ARP_WARP in CCP4i

2013-03-07 Thread Ioan Vancea
Dear Karthikeyan, In order to trace the error may I ask you, please, to change the first line in auto_tracing.sh by adding -x as option to csh: #!/bin/csh -xf and then rerun the command to see where it stops. Cheers, Ioan P.S. I remember that I have seen that kind of error (for shell scripts

Re: [ccp4bb] compiling refmac5 on Ubuntu 12.04

2013-03-07 Thread Ian Tickle
Yes the exact result after rounding will depend on the order of arithmetic operations and even an apparently insignificant change to the high-level code can change the order in which an optimising compiler generates the corresponding machine code. The operation order can also be influenced by diff

Re: [ccp4bb] compiling refmac5 on Ubuntu 12.04

2013-03-07 Thread Adam Ralph
Dear Ed,     It is not usual to find small discrepancies in floating point  calculations. A simple test to demonstrate this is to calculate sum 1.0/n   n=1->100  and n=100->1. You might find  that the results differ. For 4-byte reals will tend to differ in the 6th significant digit and

Re: [ccp4bb] Problem in running ARP_WARP in CCP4i

2013-03-07 Thread Karthikeyan S.
Nope, it is not working. Just for information, if I give the command auto_tracing.sh, it prints the 'help' text file... -Karthik On 3/7/2013 7:11 PM, Santosh Panjikar wrote: try tcsh auto_tracing.sh datafile ../psp.mtz Santosh Panjikar, Ph.D. Scientist Australian Synchrotron 800 Blackburn

Re: [ccp4bb] Problem in running ARP_WARP in CCP4i

2013-03-07 Thread Santosh Panjikar
try tcsh auto_tracing.sh datafile ../psp.mtz Santosh Panjikar, Ph.D. Scientist Australian Synchrotron 800 Blackburn Road Clayton VIC 3168 Australia Ph: +61-4-67770815 (mobile) +61-3-85404276 (office) From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC

[ccp4bb] Problem in running ARP_WARP in CCP4i

2013-03-07 Thread S. Karthikeyan
Dear CCP4BB members, I am trying to run arp_warp classic (7.3 version) through ccp4i (CCP4 6.3) in CentOS system. However, it gives the following error even for the example files provided with Arp/Warp. Any suggestions are welcome. --- QUITTING ... AR

Re: [ccp4bb] compiling Fortran 77 code on a Linux box (using gfortran ?)

2013-03-07 Thread Ian Tickle
I'm using gcc 4.7.2 (latest stable version I think). I don't get the compilation error of the FORMAT statement but I do get the segfault error on running with the '-malign-double' switch that I reported. So it would appear that even the current stable version is buggy! As Jon said the workaround

Re: [ccp4bb] compiling Fortran 77 code on a Linux box (using gfortran ?)

2013-03-07 Thread vellieux
Hi Jon, Thanks for the feedback. The version I am using (which is not that reported in the web page you mention, Version: 4:4.3.2-2) is: GNU Fortran (GCC) 4.4.6 20120305 (Red Hat 4.4.6-4). Hence it appears that the bug hasn't been entirely dealt with. Ian Tickle was getting segmentation fault

Re: [ccp4bb] compiling Fortran 77 code on a Linux box (using gfortran ?)

2013-03-07 Thread Jon Agirre
Dear Fred, I would say that you're using a buggy gfortran version (http://lists.debian.org/debian-gcc/2009/03/msg00070.html). You may want to check your version with 'gfortran --version' in order to be sure of it. The '-malign-double' switch provides only a slight optimization and as you have alre