[gmx-users] Error while compilation of Gromacs3.3.1.....in SGI Octane

raja raja_28 at fastmail.us
Wed Jan 17 14:22:41 CET 2007


Dear Ms.Sharada,
I have been following yours this thread with a hope of a break out for
this long lasting problem. Indeed I gave up and somehow adjusted with
pre-compiled older version (users' contribution), available in gmx site.
But as of now I am mostly running gromacs in windows though I got two
SGI to spare for my research work (really feel bad that I am not doing
any justice to this wonder machine having in my side!!!). Sorry to
disappoint you and rather I can suggest you to give a try to get
executables of current version from any of the users or even by the
developers (remembering that I requested in the list sometime ago but no
responds and you can try your luck now!!!! :-)  ). And do not forget to
inform me of any breakout. 

Regards,
B.Nataraj


On Wed, 17 Jan 2007 17:13:44 +0530 (IST), "sharada"
<sharada at ccmb.res.in> said:
> 
> 
>     
>         
>             
> Dear  gmx_users 
> In particular to Dr.B.Nataraj 
> (I am doing this as I donot have his email address)
> I have found the program 'main.c'  in gmxlib folder and I corrected the
> lines 247 in main.c  I could  compile further  then I got 4 errors  in
> 'gmx_fftw_fftw3.c ' about ' pc += 8; ...../
> when I looked in the gmx_users list I found a similar thread of mails
> written by Dr. B.Nataraj around April 2006 who I presume had a similar
> problem in installing the package on SGI, and accordingly I went about
> correcting the errors as they occured . However now I have got around 20
> errors in the program 'gmx_chi.c' for which there are no corrections and
> and the thread is stopped on this problem. I would like to know how he
> could solve the problem of installation of gromacs 3.3.1 on the SGI IRIX
> after that. Whether the problem got solved or not ? I would like to
> request him to give me some suggestions in this regard.  I  am desperate
> in installing it on SGI using MIPSpro compilers (cc) before I switch over
> to gcc as this would take time. 
> Thanks in advance
> Sharada
> -- Original Message --
> From: sharada <sharada at ccmb.res.in>
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Date: Tue, 16 Jan 2007 15:43:32 +0530 (IST)
> Subject: Re:  [gmx-users] error while compilation of Gromacs 3.3.1.....
> 
>             
>             
> 
>             
>                 
>                     
>                         
> Dear  Drs. Martin Hofling and Mark Abraham,
> I agree with your suggestions since I have gone through the gmx_users
> previous mails written by others in this line where in compilation on SGI
> machines didnot go off without problems. In any case I would like to
> bring to your notice once again to the errors I got when I was compiling
> Gromacs 3.3.1
>  cc-1197 cc: WARNING File = main.c, Line = 247
>   The indicated format string requires additional arguments.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> cc-1018 cc: ERROR File = main.c, Line = 247
>   An unmatched left parentheses "(" appears in an expression.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> cc-1008 cc: ERROR File = main.c, Line = 247
>   A new-line character appears inside a string literal.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> 
>                         
> The above lines clearly indicates that there is an extra new-line
> character and also unmatched left 
> paranthesis in the formats statements in line number 247. I strongly feel
> that if these are  corrected then may be my compilation would go
> smoothly, however I donot know where is the 'main.c' program. If I am
> right then I would like to do this first,  if you can tell me where to
> look for main.c or is it possible ?
> with regards 
> sharada
> 
>                         "
> -- Original Message --
> From: sharada <sharada at ccmb.res.in>
> To: gmx-users at gromacs.org
> Date: Thu, 11 Jan 2007 16:22:58 +0530 (IST)
> Subject: [gmx-users] error while compilation of Gromacs 3.3.1.....
> 
>                         Dear Gromacs users,
> I am installing the Gromacs version 3.3.1 on the SGI Octane with IRIX 6.5
> R12000
> system. I could successfully installed fftw package and trying the
> compile gromacs.
> I am getting the following at the end of the 'make' command :
> ........
> These are the last few lines after the make command
> include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -I/usr/local/include
>   -r12000 -mips4 -O3 -OPT:IEEE_arithmetic=3 -OPT:rsqrt=ON
> -SWP:loop_overhead -INLINE:=ON -LNO:opt=1 -LNO:ou_further=3
> -OPT:Olimit=0:roundoff=3:alias=typed -woff 1174 -D__INLINE_INTRINSICS -c
> -o main.lo main.c
>  cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include
>  "-DGMXLIBDIR=\"/usr/local/gromacs/share/top\"" -I/usr/local/include
>  -r12000 -mips4 -O3 -OPT:IEEE_arithmetic=3 -OPT:rsqrt=ON
>  -SWP:loop_overhead -INLINE:=ON -LNO:opt=1 -LNO:ou_further=3
>  -OPT:Olimit=0:roundoff=3:alias=typed -woff 1174 -D__INLINE_INTRINSICS -c
>  main.c -Wp,-MDupdate,.deps/main.TPlo -o main.o
> cc-1197 cc: WARNING File = main.c, Line = 247
>   The indicated format string requires additional arguments.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> cc-1018 cc: ERROR File = main.c, Line = 247
>   An unmatched left parentheses "(" appears in an expression.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> cc-1008 cc: ERROR File = main.c, Line = 247
>   A new-line character appears inside a string literal.
>           "%s (%s)\n\n\n",BUILD_TIME,BUILD_USER,BUILD_MACHINE);
>                           ^
> 2 errors detected in the compilation of "main.c".
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> How can I correct this error?Where is the main.c ? Kindly tell me if I
> have to set some parameters while compilation. 
> regards
> sharada_______________________________________________"
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-- 
  raja
  raja_28 at fastmail.us

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