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 installation on sun64 machine
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Joined: May 2006
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Hi,
I am installing Charmm on a cluster(sun 64) and have followed the instructions but when I try to execute charmm I get the following error
Chemistry at HARvard Macromolecular Mechanics (CHARMM) - Developmental Version 33b2 February 15, 2007 Copyright(c) 1984-2001 President and Fellows of Harvard College All Rights Reserved Current operating system: SUN UNIX Created on 22/ 6/ 7 at 12: 8:23 by user: fyspjg
Maximum number of ATOMS: 60120, and RESidues: 20040 Current HEAP size: 10240000, and STACK size: 10000000
Processing passed argument "/appl/ggamess/c33b2/exec/sun64/charmm"
***** LEVEL -5 WARNING FROM <CHANDLE> ***** ***** Unrecognized argument "/appl/ggamess/c33b2/exec/sun64/charmm" ****************************************** BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5
anybody knows how to fix the error and what it means?
Any help or advise appreciated. Thanks in advance. Best regards
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 Re: installation on sun64 machine
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Joined: Feb 2004
Posts: 147
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Different compilers, associated libraries and OSes have different ways and different ideas about parsing command line arguments. Normally (in C) the name of the executable being run is passed as the first argument (argv[0]) and is usually useless to a program like CHARMM which only wants to get access to whatever command line options were passed to it.
In your case the name of the executable is being sent over to CHARMM which doesn't know what to do with it as it's not one of the recognized options. It's probable that a fix would be for this specific platform/compiler to ignore the first argument passed to CHARMM. So what exactly is the version of the OS ('uname -a') and of the compilers ('cc -V', 'f77 -V') ?
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 Re: installation on sun64 machine
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Joined: May 2006
Posts: 49
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OP
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Hi,
Thanks for helping. My OS is SunOS newton 5.10 Generic_118833-23 sun4u sparc SUNW,Sun-Fire-15000
and by executing the command f77 -V I get
f90: Sun Fortran 95 8.2 Patch 121019-04 2006/10/26
and cc -V
cc: Sun C 5.8 Patch 121015-04 2007/01/10
So how to solve the problem? Any advise or help appreciate. Thanks in advance.
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 Re: installation on sun64 machine
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Joined: Sep 2003
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Changes specific for 'SUN64' may be needed in the routine MGETARG found in source/machdep/startup.src
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 Re: installation on sun64 machine
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Joined: Sep 2003
Posts: 8,522 Likes: 2
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One thing you can try (I can't test it, no Sun machines) is the following change, at ca. line 680 in machdep/startup.src ##IF GFORTRAN SUN64 CALL GETARG(IARG,ARG) ##ELSE CALL GETARG(IARG4,ARG) ##ENDIF
The assumption is that the problem is related to the word length of the integer passed to the GETARG() system call. You should then delete lib/sun64/machdep.a and re-run install.com
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 Re: installation on sun64 machine
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Joined: May 2006
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It still gives me the error
***** LEVEL -5 WARNING FROM <CHANDLE> ***** ***** Unrecognized argument "/appl/ggamess/c33b2/exec/sun64/charmm" ****************************************** BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5
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 Re: installation on sun64 machine
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Joined: Sep 2003
Posts: 8,522 Likes: 2
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That suggests it's not the word size; another notion is the GETARG() convention for argument numbering. Typically, the program name is argument 0 (zero), with user arguments numbered 1 and above; the error suggests that argument 1 may be the program name in this case. Try ##IF GFORTRAN CALL GETARG(IARG,ARG) ##ELIF SUN64 CALL GETARG(IARG4+1,ARG) ##ELSE CALL GETARG(IARG4,ARG) ##ENDIF
instead of the above change. Delete machdep.a and re-run install.com, as before.
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 Re: installation on sun64 machine
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Joined: May 2006
Posts: 49
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hmmm it is still gives the problem
Processing passed argument "/appl/ggamess/c33b2/exec/sun64/charmm"
***** LEVEL -5 WARNING FROM <CHANDLE> ***** ***** Unrecognized argument "/appl/ggamess/c33b2/exec/sun64/charmm" ****************************************** BOMLEV ( 0) IS REACHED - TERMINATING. WRNLEV IS 5
it is as if it takes the execution as input??
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 Re: installation on sun64 machine
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Joined: Sep 2003
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Are you certain that a new executable was produced for these tests, and that you used the new executables?
Are you using 'sun64' as the machine type arg to install.com?
I'm surprised that neither change had any effect.
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 Re: installation on sun64 machine
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Joined: May 2006
Posts: 49
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the program is re-compiled and new executables are generated - I remove the executables before compiling.
The installation procedure is
./install.com sun64 large T
and it compiles fine ie. it does not return any error messages.
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