Re: [gmx-users] install problem of ngmx

On 13/04/2010 12:14 AM, kecy...@sina.com wrote: Hello, the error is like that : *In file included from ngmx.c:50:* > > *Xstuff.h:48:22: error: X11/Xlib.h: No such file or directory* > > *Xstuff.h:49:23: error: X11/Xutil.h: No such file or directory* > > *Xstuff.h:51:28: error: X11/cursorfo

[gmx-users] install problem of ngmx

Hello, the error is like that : *In file included from ngmx.c:50:* > > *Xstuff.h:48:22: error: X11/Xlib.h: No such file or directory* > > *Xstuff.h:49:23: error: X11/Xutil.h: No such file or directory* > > *Xstuff.h:51:28: error: X11/cursorfont.h: No such file or directory* > > *Xstuff.h:52:27: err

Re: [gmx-users] install problem of ngmx

kecy...@sina.com wrote: the version of the gcc is 4.1.1. Get a better version of gcc. Note the prominent warning on the Downloads page: http://www.gromacs.org/index.php?title=Download_%26_Installation -Justin Thank you! -- Justin A. Lemkul

Re: [gmx-users] install problem of ngmx

kecy...@sina.com wrote: Hello, my configure line is ./configure --without-X --enable-mpi --enable-fortran --prefix=/mnt/soft/chemtec/gromacs4.0.5. I have been setted in the ~/.bashrc like this : --without-X and --without-x are different things. Computers are literal. Watch the outp

[gmx-users] install problem of ngmx

Hello,  my configure line is ./configure --without-X  --enable-mpi --enable-fortran --prefix=/mnt/soft/chemtec/gromacs4.0.5. I have been setted  in the ~/.bashrc like this :   export PATH=/opt/mpich2wgs/bin:$PATH:/share/apps/intel/fce/10.1.022/bin export CC=gcc export CXX=g++ export CFLAGS="-03 x

Re: [gmx-users] install problem of ngmx.

On 8/04/2010 5:52 PM, kecy...@sina.com wrote: Hello, I installed the gromacs4.0.5, when I made, it had lots of mistakes, below is some of the mistakes: You should prefer to install the latest version, not one that's over a year old. Bugs get fixed... Unless you're planning to use ngmx you c

[gmx-users] install problem of ngmx.

Hello, I installed the gromacs4.0.5, when I made, it had lots of mistakes, below is some of the mistakes: In file included from ngmx.c:50: Xstuff.h:48:22: error: X11/Xlib.h: No such file or directory Xstuff.h:49:23: error: X11/Xutil.h: No such file or directory Xstuff.h:51:28: error: X11/cursorf

Re: [gmx-users] install problem

Hi, search in config.log for the compiler error. This should tell you the problem. If not post the compiler error. Roland On Tue, Apr 7, 2009 at 5:20 AM, Hongyan Xiao wrote: >Dear gmx-users, > > When I parallel install gromacs-4.0.4 using my own usr. I encountered the > problem. The follow

[gmx-users] install problem

Dear gmx-users, When I parallel install gromacs-4.0.4 using my own usr. I encountered the problem. The following is my installation steps. Step 1: install lam-7.1.4 $ cd lam-7.1.4 $ ./configure --prefix=/home/xhy/software/lam-7.1.4 --without-fc --with-rsh=ssh-x

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Mark Abraham wrote: liu xin wrote: Hi Mark After some search on the web, I found that in AIX OS mpcc is the MPI c compiler, while mpCC is the MPI C++ compiler and mpxlf is the MPI fortran compiler. but when I tried to configure it like: " configure --enable-mpi MPICC=/usr/bin/mpcc", I still g

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

liu xin wrote: Hi Mark After some search on the web, I found that in AIX OS mpcc is the MPI c compiler, while mpCC is the MPI C++ compiler and mpxlf is the MPI fortran compiler. but when I tried to configure it like: " configure --enable-mpi MPICC=/usr/bin/mpcc", I still got error complaining

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Hi Mark After some search on the web, I found that in AIX OS mpcc is the MPI c compiler, while mpCC is the MPI C++ compiler and mpxlf is the MPI fortran compiler. but when I tried to configure it like: " configure --enable-mpi MPICC=/usr/bin/mpcc", I still got error complaining "Cannot compile and

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

> Hi, thanks for the time > I asked my administrator, he told me that there was no mpicc installed on > p575, the fore mentioned mpcc was the MPI c compiler, but he is not very > familiar with the AIX OS either, and I will try to explain my problem more > clearly: > > a. configure --enable-mpi --pr

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Hi, thanks for the time I asked my administrator, he told me that there was no mpicc installed on p575, the fore mentioned mpcc was the MPI c compiler, but he is not very familiar with the AIX OS either, and I will try to explain my problem more clearly: a. configure --enable-mpi --prefix=/hpc/gmx

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

MPICC is the environment variable (upper case important). It should be set to the name of your mpi-enabled C compiler. Cheers, ERik On Oct 18, 2007, at 4:40 AM, liu xin wrote: Hi Erick you mean export MPICC=mpcc? ok, I will try that On 10/18/07, Erik Lindahl <[EMAIL PROTECTED]> wrote: Hi

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

liu xin wrote: Hi Erick you mean export MPICC=mpcc? ok, I will try that No. The name of the mpicc (pseudo) compiler is mpicc. That is also the name of the variable that contains that name - i.e. MPICC Mark ___ gmx-users mailing listgmx-users@gr

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Hi Erick you mean export MPICC=mpcc? ok, I will try that On 10/18/07, Erik Lindahl <[EMAIL PROTECTED]> wrote: > > Hi, > > On Oct 17, 2007, at 7:13 PM, liu xin wrote: > > > Thanks for your quick comment David > > but if I tried > > ./configure --enable-mpi --prefix=/hpc/gromacsmpi > > it will com

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Hi, On Oct 17, 2007, at 7:13 PM, liu xin wrote: Thanks for your quick comment David but if I tried ./configure --enable-mpi --prefix=/hpc/gromacsmpi it will complain about cant find MPI compiler, but I've already export mpcc=mpicc Try setting MPICC instead :-) Cheers, Erik

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

Thanks for your quick comment David but if I tried ./configure --enable-mpi --prefix=/hpc/gromacsmpi it will complain about cant find MPI compiler, but I've already export mpcc=mpicc On 10/18/07, David van der Spoel <[EMAIL PROTECTED]> wrote: > > liu xin wrote: > > Hello everyone > > > > I tried t

Re: [gmx-users] install problem on IBM powerpc AIX 5.3

liu xin wrote: Hello everyone I tried to install gromacs-3.3.1 on our IBM PowerPC with AIX 5.3 OS, this is how I've done it: ./configure --enable-mpi=/usr/bin --prefix=/hpc/gromacsmpi Is this the command line you used? Try: ./configure --enable-mpi --prefix=/hpc/gromacsmpi make mdrun make

[gmx-users] install problem on IBM powerpc AIX 5.3

Hello everyone I tried to install gromacs-3.3.1 on our IBM PowerPC with AIX 5.3 OS, this is how I've done it: ./configure --enable-mpi=/usr/bin --prefix=/hpc/gromacsmpi make mdrun make install-mdrun then I tried to mdrun my system with 6 cpu grompp -f md.mdp -c -p -o 6np.tpr -np 6 -shuffle -sort

Re: [gmx-users] install problem

John Mercer wrote: Hi, I am a beginning user of GROMACS, and am just now trying to get a functional installation. There is something not quite right about the installations I have tried. I have spent considerable time testing ideas about what might be the problem, but have not nailed it. I

[gmx-users] install problem

Hi, I am a beginning user of GROMACS, and am just now trying to get a functional installation. There is something not quite right about the installations I have tried. I have spent considerable time testing ideas about what might be the problem, but have not nailed it. I am hoping some

[gmx-users] install problem

Dear GMX List, I am running into an installation problem with a recent version of the pathscale compiler when trying ./configure --enable-mpi I get "checking size of int... configure: error: cannot compute sizeof (int), 77" I searched the list and saw a similar problem with xlc, but no solutio