[gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3
Yang Ye
leafyoung81-group at yahoo.com
Wed Apr 19 02:50:04 CEST 2006
You may replace line 579 as
evStepOptions[evLINFIX] => evStepOptions[0]
line 581 as
evStepOptions[evLINACC] => evStepOptions[1]
line 583 as
evStepOptions[evRADFIX] => evStepOptions[2]
Just a quick fix.
Yang Ye
Akshay Patny wrote:
> Hi
>
> As suggested I removed one of the semicolons before the double semicolon in
> one of the lines in the file gmx_chi.c
>
> I re-installed again and this time it gave me the following error. Can you
> suggest what is going wrong and how can I fix it now?
> ____________________________________________________________________________
> cc-1028 cc: ERROR File = make_edi.c, Line = 579
> The expression used must have a constant value.
>
> { evStepOptions[evLINFIX], FALSE, etSTR, {&evParams[evLINFIX]},
> ^
>
> cc-1028 cc: ERROR File = make_edi.c, Line = 581
> The expression used must have a constant value.
>
> { evStepOptions[evLINACC], FALSE, etSTR, {&evParams[evLINACC]},
> ^
>
> cc-1028 cc: ERROR File = make_edi.c, Line = 583
> The expression used must have a constant value.
>
> { evStepOptions[evRADFIX], FALSE, etREAL, {&radfix},
> ^
>
> cc-1552 cc: WARNING File = make_edi.c, Line = 622
> The variable "bTop" is set but never used.
>
> bool bTop, bM, bFit1;
> ^
>
> 3 errors detected in the compilation of "make_edi.c".
> *** Error code 2 (bu21)
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> ____________________________________________________________________________
>
> I really appreciate your help.
>
> Kind Regards
> Akshay
>
> Akshay Patny
>
>
> Graduate Research Assistant
> Faser Hall 417, Department of Medicinal Chemistry
> Research Institute of Pharmaceutical Sciences
> University of Mississippi
> University, MS 38677
> E-mail: akshay17 at olemiss.edu
> Tel: 662-915-1286 (office); Web: www.olemiss.edu
>
> |-----Original Message-----
> |From: David van der Spoel [mailto:spoel at xray.bmc.uu.se]
> |Sent: Tuesday, April 18, 2006 12:22 AM
> |To: akshay17 at olemiss.edu; Discussion list for GROMACS users
> |Subject: Re: [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 2
> |
> |Akshay Patny wrote:
> |> Hi
> |> Hi ALl
> |>
> |> I read through some of the e-mails of B. Nataraj and Erik Lindahl for
> |> similar problem on compiling of GROMACS 3.3.1 on SGI IRIX.
> |>
> |> As my error also pointed to a problem in "gmx_fft_fftw3.c", I replaced
> |the
> |> 'void' with 'char' in the line 150 of the file, as suggested.
> |>
> |> I got the errors exactly the same as B. Nataraj got after doing this
> |> modification, which is listed at
> |> http://www.gromacs.org/pipermail/gmx-users/2006-April/020969.html
> |>
> |> The same error is given below. I could not understand how to fix this
> |error
> |> and run GROMACS successfully.
> |>
> |> Dr. Erik Lindahl wrote that: "As far as I can see that file is perfectly
> |> valid ANSI C - there is no executable statement in the declaration
> |section."
> |>
> |> However, I still do not know how to fix this?
> |>
> |
> |there is a double semicolon on one of the lines before it. please remove
> |it and retry.
> |
> |> Please help.
> |>
> |> Regards
> |> Akshay
> |>
> |> Error is given below:
> |>
> |___________________________________________________________________________
> |_
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1031
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> static real core_frac=0.5 ;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1032
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> t_pargs pa[] = {
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1073
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> FILE *log;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1074
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> int natoms,nlist,naa,idum,nbin;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1075
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> t_atoms atoms;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1076
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> rvec *x;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1077
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> matrix box;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1078
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> char title[256],grpname[256];
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1079
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> t_dlist *dlist;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1080
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> char **aa;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1081
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> bool bChi,bCorr,bSSHisto;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1082
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> bool bDo_rt, bDo_oh, bDo_ot, bDo_jc ;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1083
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> real dt=0, traj_t_ns;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1085
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> atom_id isize,*index;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1086
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> int ndih,nactdih,nf;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1087
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> real **dih,*trans_frac,*aver_angle,*time;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1088
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> int i,j,**chi_lookup,*xity;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1090
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> t_filenm fnm[] = {
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1106
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> int npargs;
> |> ^
> |>
> |> cc-1241 cc: ERROR File = gmx_chi.c, Line = 1107
> |> A declaration cannot appear after an executable statement in a block.
> |>
> |> t_pargs *ppa;
> |> ^
> |>
> |> 20 errors detected in the compilation of "gmx_chi.c".
> |> *** Error code 1 (bu21)
> |> *** Error code 1 (bu21)
> |> *** Error code 1
> |>
> |(bu21)_____________________________________________________________________
> |_
> |> ______
> |>
> |>
> |> Akshay Patny
> |>
> |> Graduate Research Assistant
> |> Faser Hall 417, Department of Medicinal Chemistry
> |> Research Institute of Pharmaceutical Sciences
> |> University of Mississippi
> |> University, MS 38677
> |> E-mail: akshay17 at olemiss.edu
> |> Tel: 662-915-1286 (office); Web: www.olemiss.edu
> |>
> |>
> |> _______________________________________________
> |> gmx-users mailing list gmx-users at gromacs.org
> |> http://www.gromacs.org/mailman/listinfo/gmx-users
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> |
> |
> |--
> |David.
> |________________________________________________________________________
> |David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> |Dept. of Cell and Molecular Biology, Uppsala University.
> |Husargatan 3, Box 596, 75124 Uppsala, Sweden
> |phone: 46 18 471 4205 fax: 46 18 511 755
> |spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
> |++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
> _______________________________________________
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>
--
/Regards,/
Yang Ye
/Computational Biology Lab
School of Biological Sciences
Nanyang Technological University
Singapore
Tel: 6316-2884
/
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