Re: [gmx-users] mpi mdrun

2009-06-18 Thread Justin A. Lemkul
jayant james wrote: Hi! After installing GMX without the mpi Igive the following commands make clean ./configure --enable-mpi --disable-nice --program-suffix="_mpi" I am getting this problem when I give the --enable-mpi option checking size of int... configure: error: cannot compute sizeo

Re: [gmx-users] mpi mdrun

2009-06-18 Thread jayant james
Hi! After installing GMX without the mpi Igive the following commands make clean ./configure --enable-mpi --disable-nice --program-suffix="_mpi" I am getting this problem when I give the --enable-mpi option checking build system type... x86_64-unknown-linux-gnu checking host system type... x86_64

Re: [gmx-users] mpi mdrun

2009-06-18 Thread Mark Abraham
jayant james wrote: Hi! Thanks for your reply. So I suppose I need to have a hostfile in my directory and call it during the mpirun command. I have one clarification, since I am using a quad core how am I to list the processors on the host file? would it need to open a file name \d hostfile

Re: [gmx-users] mpi mdrun

2009-06-18 Thread Jussi Lehtola
On Thu, 2009-06-18 at 10:03 -0700, jayant james wrote: > Hi! > Thanks for your reply. So I suppose I need to have a hostfile in my > directory and call it during the mpirun command. I have one > clarification, since I am using a quad core how am I to list the > processors on the host file? would i

Re: [gmx-users] mpi mdrun

2009-06-18 Thread jayant james
Hi! Thanks for your reply. So I suppose I need to have a hostfile in my directory and call it during the mpirun command. I have one clarification, since I am using a quad core how am I to list the processors on the host file? would it need to open a file name \d hostfile and have a list for exampl

Re: [gmx-users] mpi mdrun

2009-06-17 Thread Mark Abraham
jayant james wrote: Hi! Oh!! I see that nnodes: 1. So does that mean that the job I gave is not running on four processors? If so how am I to solve this problem? You haven't configured your MPI system with a suitable hostfile/whatever for your machine, probably. Mark ___

Re: [gmx-users] mpi mdrun

2009-06-17 Thread jayant james
Hi! Oh!! I see that nnodes: 1. So does that mean that the job I gave is not running on four processors? If so how am I to solve this problem? thanks JJ On Wed, Jun 17, 2009 at 9:10 PM, Mark Abraham wrote: > jayant james wrote: > >> Hi Mark! >> Thanks for the tip I got it the mpi mdrun running on

Re: [gmx-users] mpi mdrun

2009-06-17 Thread Mark Abraham
jayant james wrote: Hi Mark! Thanks for the tip I got it the mpi mdrun running on my quad core machine. I just have one small clarification. In the output file md.log I see this message "Started mdrun at node (0)" I monitor my processor's load using gkrellm to see how many are running. Whe

Re: [gmx-users] mpi mdrun

2009-06-17 Thread jayant james
Hi Mark! Thanks for the tip I got it the mpi mdrun running on my quad core machine. I just have one small clarification. In the output file md.log I see this message "Started mdrun at node (0)" I monitor my processor's load using gkrellm to see how many are running. When I started the mdrun ( mp

Re: [gmx-users] mpi mdrun

2009-06-16 Thread Mark Abraham
jayant james wrote: Hi !! I am attempting to install mpi mdrun such that I can use all four processors of my quad core system. But I keep running into this problem!! My operating system is Suse 10.1. (cd .libs && rm -f libgmxpreprocess_mpi.la && ln -s ../li

[gmx-users] mpi mdrun

2009-06-16 Thread jayant james
Hi !! I am attempting to install mpi mdrun such that I can use all four processors of my quad core system. But I keep running into this problem!! My operating system is Suse 10.1. (cd .libs && rm -f libgmxpreprocess_mpi.la && ln -s ../libgmxpreprocess_mpi.la libgmxpreprocess_mpi.la) make[1]: ***