[gmx-users] Re: Req for GROMACS config in cygwin

[Nuno R. L. Ferreira]

Hi 

This time I don't have a quick answer. Problems during compilation, should be described more carefully since the problem could come from almost anywhere.

Again, I forwarded your post to the mailing list, where for sure, there's a couple of guys with more experience than me, to make you through the problem.

Best regards,
Nuno

  ----- Original Message ----- 
  From: Nataraj Balakrishnan 
  To: Nuno R. L. Ferreira 
  Sent: Friday, January 13, 2006 10:57 AM
  Subject: Re: Req for GROMACS config in cygwin


  Dear sir,
         Thank you very much for your timely help, It realy worked now...I could end up my frustration of three long days by your mail. But now I am having another problem in running make command. It goes on fine until I found these errors ...if you could simillarly give me some quick solution for this that will save my lot of efforts to put in to fix the problem by myself. 

  the error is as found in terminal is

   mknb_outerloop.o mknb_innerloop.o mknb_interactions.o, ...) failed.
  make (e=87): The parameter is incorrect.
  C:\Cygwin\bin\make.exe[5]: *** [mknb] Error 87
  C:\Cygwin\bin\make.exe[5]: Leaving directory `c:/gromacs- 3.3/src/gmxlib/nonbonde
  d/nb_kernel'
  C:\Cygwin\bin\make.exe[4]: *** [all-recursive] Error 1
  C:\Cygwin\bin\make.exe[4]: Leaving directory `c:/gromacs-3.3/src/gmxlib/nonbonde
  d'
  C:\Cygwin\bin\make.exe[3]: *** [all-recursive] Error 1 
  C:\Cygwin\bin\make.exe[3]: Leaving directory `c:/gromacs-3.3/src/gmxlib'
  make.exe[2]: *** [all-recursive] Error 1
  make.exe[2]: Leaving directory `c:/gromacs-3.3/src'
  C:\Cygwin\bin\make.exe[1]: *** [all] Error 2 
  C:\Cygwin\bin\make.exe[1]: Leaving directory `c:/gromacs-3.3/src'
  C:\Cygwin\bin\make.exe: *** [all-recursive] Error 1
   

  Sorry for troubling you again and again.

  With regards,
  B.Nataraj

   
  On 1/13/06, Nuno R. L. Ferreira <nunolf at ci.uc.pt> wrote: 
    Hi Nataraj

    Cygwin running gmx was long time ago!
    I no longer have that combination running. But, the problem seems to be on gmx not finding the fftw libraries.
    When executing the configure script add the flags CPPFLAGS & LDFLAGS.

    If the fftw was installed say at /opt/fftw, then try:

    CPPFLAGS=-I/opt/fftw/include LDFLAGS=-L/opt/fftw/lib ./configure

    I took the freedom to forward this message to the gmx-mailing list.
    Hope it helps.

    Best regards,
    Nuno

    P.S. BTW, try a linux distro. You won't be disappointed.

      ----- Original Message ----- 
      From: Nataraj Balakrishnan 
      To: nunolf at ci.uc.pt 
      Sent: Friday, January 13, 2006 5:30 AM
      Subject: Req for GROMACS config in cygwin

       
      Dear Sir,
               I have seen your replies regarding usage of GROMACS in Cygwin in gmxuser forum. I am having a serious error while I run my configure program of gromacs. It ends up with the error of following last lines of the terminal. 

      checking for fseeko... yes
      checking for sqrt in -lm... yes
      checking for fftw3.h... yes
      checking for main in -lfftw3f... no
      configure: error: Cannot find fftw3f library

      I stricly followed the steps of configuration and installation of fftw as per the guidliness GROMACS webpage. the FFTW installed without any 
      error generated.  Infact I installed FFTW both as double precision and float option as per the guidliness in GROMACS webpage.

      But it really a problem when comes to the GROMACS configuration.

      Kindly help to fix the problem.

      with regards,
      B.Nataraj




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