Re: [ccp4bb] unstable performance of refmac. any suggestions?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Simultaneous PHENIX and CCP4 burp
From: Frank von Delft frank {- dot -} vondelft {- at -} SGC {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2007-05-23

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Subject: Re: Simultaneous PHENIX and CCP4 burp
From: Peter Zwart PHZwart {- at -} LBL {- dot -} GOV
Date: 2007-05-23

Subject: Re: unstable performance of refmac. any suggestions?
From: "Stein, ND (Norman)" n {- dot -} d {- dot -} stein {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-05-23

This looks like it might be a problem with opening temporary files on
Windows. Can you try replacing the refmac5.exe file in your $CCP4/bin
directory with the following:

ftp://ftp.ccp4.ac.uk/nds/windows/refmac5.exe

(It is probably worth keeping the old refmac5.exe under a different
name, just in case you want to revert to it). The modified executable
has two goes at opening a temporary file - if the ordinary Windows
method fails it will try another method.

Norman

Norman Stein
CCP4
Daresbury Laboratory
Warrington
UK

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
fang sheng
Sent: 21 May 2007 19:53
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] unstable performance of refmac. any suggestions?

Dear all,

I got some strange problems with the refmac. The whole ccp4 package was
newly downloaded to my laptop( window, off-line installation),including
ccp4mg and coot.

First, refmac randomly fails to complete task( as shown as below).
"randomly" means it failed one time, but will run through and complete
the task the other time, I have got no control over it.

Second, Even after the tasks are finished and I see the output pdb and
map files, (so far I have run SFcheck and refmac,) it does not show"
finished"
but "running". It only switches to "finished" after I shut down ccp4 and
restart.

Overally ccp4 works on my laptop, but the unstable performance is kind
of nagging me down. If you could offer your suggestions, I appreciate it
very much.

river-lake fang

------------------------------------------------------------------------
---------------------------------------------------------------

CGMAT cycle number = 3

$TEXT:Warning: $$ comment $$
WARNING: CCPOPN Logical name C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1
has no associated file name $$
Open failed: Unit: 8, File: C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1
(logical: C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1)
Refmac_5.2.0019: Open failed: File:
C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1
Times: User: 0.0s System: 0.0s Elapsed: 0:58

************************************************************************
***
* Information from CCP4Interface script
************************************************************************
***
The program run with command: refmac5 XYZIN
"C:/Ccp4Temp/M5/new_m5_refmac1-coot-2.pdb" XYZOUT
"C:/Ccp4Temp/m5_14_4_pdb_1.tmp" HKLIN "C:/Ccp4Temp/M5/m5_3_1_.mtz"
HKLOUT "C:/Ccp4Temp/m5_14_6_mtz_1.tmp" LIBIN
"C:/Ccp4Temp/M5/m5_3_50_lib.cif"
LIBOUT "C:/Ccp4Temp/M5/m5_14_lib.cif"
has failed with error message
Last system error message: Permission denied
Refmac_5.2.0019: Open failed: File:
C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1
************************************************************************
***

#CCP4I TERMINATION STATUS 0 Last system error message: Permission denied

Refmac_5.2.0019: Open failed: File:
C:Ccp4Temp\refmac5_temp1.03096_REFSCR_1
#CCP4I TERMINATION TIME 20 May 2007 19:35:09 #CCP4I MESSAGE Task failed

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Simultaneous PHENIX and CCP4 burp
From: Frank von Delft frank {- dot -} vondelft {- at -} SGC {- dot -} OX {- dot -} AC {- dot -} UK
Date: 2007-05-23

Next message:
Subject: Re: Simultaneous PHENIX and CCP4 burp
From: Peter Zwart PHZwart {- at -} LBL {- dot -} GOV
Date: 2007-05-23