<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Hi,<DIV><BR class="khtml-block-placeholder"></DIV><DIV>Change the type of those two variables from "void *" to "char *". We modified it in all other places, but missed these two.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Cheers,</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>Erik</DIV><DIV><BR class="khtml-block-placeholder"><DIV><DIV><DIV>On Apr 17, 2006, at 8:41 PM, Akshay Patny wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="PostalCode"> <O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="State"> <O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="City"> <O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="PlaceName"> <O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="PlaceType"> <O:SMARTTAGTYPE namespaceuri="urn:schemas-microsoft-com:office:smarttags" name="place"> <DIV class="Section1"> <DIV style="border:none;border-left:solid blue 1.5pt;padding:0in 0in 0in 4.0pt"><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Dear All<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">This is Akshay Patny from The University of Mississippi.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">I am trying to install GROMACS 3.3.1 on SGI ORIGIN 350 with 8 parallel 700 MHz MIPS R16000 (IP35) processors.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">As I do not have access to root, I am trying to install everything including the FFTW and GROMACS in my home directory which is:<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">/mnt1/usr/akshayp/<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">I used the following source code from the website <O:P></O:P></SPAN></FONT></P> <TABLE class="MsoNormalTable" border="1" cellspacing="0" cellpadding="0" width="100%" style="width:100.0%"> <TBODY><TR><TD valign="top" style="padding:3.75pt 3.75pt 3.75pt 3.75pt"><P class="MsoNormal" style="text-align:justify"><FONT size="3" face="Times New Roman"><SPAN style="font-size:12.0pt"><A href="ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.1.tar.gz">gromacs-3.3.1.tar.gz</A><FONT color="black"><SPAN style="color:black"><O:P></O:P></SPAN></FONT></SPAN></FONT></P> </TD><TD valign="top" style="padding:3.75pt 3.75pt 3.75pt 3.75pt"><P class="MsoNormal" style="text-align:justify"><FONT size="3" face="Times New Roman"><SPAN style="font-size:12.0pt">2006-04-06<FONT color="black"><SPAN style="color:black"><O:P></O:P></SPAN></FONT></SPAN></FONT></P> </TD><TD style="padding:3.75pt 3.75pt 3.75pt 3.75pt"><P class="MsoNormal" style="text-align:justify"><FONT size="3" face="Times New Roman"><SPAN style="font-size:12.0pt">1af34a99950813ca7cf893253c447cd1 <FONT color="black"><SPAN style="color:black"><O:P></O:P></SPAN></FONT></SPAN></FONT></P> </TD></TR></TBODY></TABLE><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">I think I already have ANSI C compiler so I installed FFTW 3.1 before installing GROMACS as mentioned. I installed FFTW in both single as well as double precision mode as advised and it went through.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">I installed FFTW in /mnt1/usr/akshayp/fftw-3.1.1<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">After that, I tried installing the GROMACS as given<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">In installed it in /mnt1/usr/akshayp/gromacs-3.3.1 which was the directory created after I untared the source code file.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">First step:<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">./configure<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">The output of this command is given in Output_Gromacs_Configure.txt file.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Second step:<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">make >&l og<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">The output of this command is given in Output_Gromacs_make_log.txt file.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Third step:<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">make install<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">The output of this command is given in Output_Gromacs_make_install.txt file.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">The second and third steps gave some errors. The last few lines including error for are as follows:<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">_______________________________________________________________________________<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">cc-3316 cc: ERROR File = gmx_fft_fftw3.c, Line = 186<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">The expression must be a pointer to a complete object type.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"> pc += 8; <O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"> ^<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">cc-3316 cc: ERROR File = gmx_fft_fftw3.c, Line = 190<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"> The expression must be a pointer to a complete object type.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"> pc += 8; <O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"> ^<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">2 errors detected in the compilation of "gmx_fft_fftw3.c".<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">*** Error code 1 (bu21)<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">*** Error code 1 (bu21)<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">*** Error code 1 (bu21)<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">_______________________________________________________________________________<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Can somebody guide me how can I fix this error? Also, please tell me as I have installed GROMACS in a local directory, what else I need to change (such as in the cshrc) and how? A little detailed answer will be of great help, as I am new to the UNIX installation area.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Please let me know in case you need any additional information from my side.<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Looking forward to hear from you<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Kind Regards<O:P></O:P></SPAN></FONT></P><P class="MsoNormal" style="text-align:justify"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt;font-family:Arial">Akshay<O:P></O:P></SPAN></FONT></P><P class="MsoNormal"><FONT size="2" face="Arial"><SPAN style="font-size:10.0pt; font-family:Arial"><O:P> </O:P></SPAN></FONT></P><P class="MsoNormal" style="margin-bottom:12.0pt"><STRONG><B><FONT size="3" face="Times New Roman"><SPAN style="font-size:12.0pt">Akshay Patny<O:P></O:P></SPAN></FONT></B></STRONG></P><P class="MsoNormal"><STRONG><B><FONT size="3" color="red" face="Times New Roman"><SPAN style="font-size:12.0pt;color:red">Graduate Research Assistant</SPAN></FONT></B></STRONG><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""=""><BR> Faser Hall 417, Department of Medicinal Chemistry</SPAN></FONT><O:P></O:P></P><P class="MsoNormal"><FONT size="2" face="Arial Narrow"><SPAN style="font-size: 11.0pt;font-family:" arial="" narrow""="">Research Institute of Pharmaceutical Sciences</SPAN></FONT><FONT color="red"><SPAN style="color:red"><BR> </SPAN></FONT><ST1:PLACE w:st="on"><ST1:PLACETYPE w:st="on"><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""="">University</SPAN></FONT></ST1:PLACETYPE><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""=""> of <ST1:PLACENAME w:st="on">Mississippi</ST1:PLACENAME></SPAN></FONT></ST1:PLACE><FONT color="red"><SPAN style="color:red"><BR> </SPAN></FONT><ST1:PLACE w:st="on"><ST1:CITY w:st="on"><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""="">University</SPAN></FONT></ST1:CITY><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""="">, <ST1:STATE w:st="on">MS</ST1:STATE> <ST1:POSTALCODE w:st="on">38677</ST1:POSTALCODE></SPAN></FONT></ST1:PLACE><FONT color="red"><SPAN style="color:red"><BR> </SPAN></FONT><FONT size="1" face="Book Antiqua"><SPAN style="font-size:9.0pt; font-family:" book="" antiqua""="">E-mail: <A href="mailto:akshay17@olemiss.edu">akshay17@olemiss.edu</A></SPAN></FONT><FONT color="red"><SPAN style="color:red"><BR> </SPAN></FONT><FONT size="1" face="Book Antiqua"><SPAN style="font-size:9.0pt; font-family:" book="" antiqua""="">Tel: 662-915-1286 (office); Web: <A href="http://www.olemiss.edu">www.olemiss.edu</A> </SPAN></FONT><FONT size="2" face="Arial Narrow"><SPAN style="font-size:11.0pt;font-family:" arial="" narrow""=""><O:P></O:P></SPAN></FONT></P><P class="MsoNormal"><FONT size="3" face="Times New Roman"><SPAN style="font-size: 12.0pt"><O:P> </O:P></SPAN></FONT></P> </DIV> </DIV> </O:SMARTTAGTYPE></O:SMARTTAGTYPE></O:SMARTTAGTYPE></O:SMARTTAGTYPE></O:SMARTTAGTYPE></O:SMARTTAGTYPE><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">_______________________________________________</DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">gmx-users mailing list<SPAN class="Apple-converted-space"> </SPAN><A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; "><A href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</A></DIV><DIV style="margin-top: 0px; margin-right: 0px; margin-bottom: 0px; margin-left: 0px; ">Please don't post (un)subscribe requests to the list. 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