[gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3
Akshay Patny
akshay17 at olemiss.edu
Wed Apr 19 17:59:43 CEST 2006
Hi ALL
I got a lot of errors when I did the modifications in the file make_edi.c in
the mnt1.usr/akshayp/src/tools/
Around 101 errors in the same file
I do not understand why all these errors are happening.
Please help me to take care of these errors and install GROMACS 3.3.1 on SGI
Irix.
Looking forward to hear
Regards
Akshay
|-----Original Message-----
|From: Yang Ye [mailto:leafyoung81-group at yahoo.com]
|Sent: Tuesday, April 18, 2006 7:50 PM
|To: akshay17 at olemiss.edu; Discussion list for GROMACS users
|Subject: Re: [gmx-users] GROMACS 3.3.1 installation on SGI (Irix): 3
|
|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
|> |> Please don't post (un)subscribe requests to the list. Use the
|> |> www interface or send it to gmx-users-request at gromacs.org.
|> |> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
|> |
|> |
|> |--
|> |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
|> |++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|>
|> _______________________________________________
|> gmx-users mailing list gmx-users at gromacs.org
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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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