Re: [gmx-users] run g_cover in parallel

2009-10-14 Thread Mark Abraham
Tsjerk Wassenaar wrote: Hi, I wonder if there a way to run g_cover in paralel in order to make things run faster? No. Obviously you can use -dt to reduce the number of frames you analyze. In most cases it's not the reading of frames, but the diagonalization of the covariance matrix that cons

Re: [gmx-users] run g_cover in parallel

2009-10-14 Thread Tsjerk Wassenaar
Hi, >> I wonder if there a way to run g_cover in paralel in order to make >> things run faster? > > No. Obviously you can use -dt to reduce the number of frames you analyze. In most cases it's not the reading of frames, but the diagonalization of the covariance matrix that consumes most of the ti

Re: [gmx-users] run g_cover in parallel

2009-10-13 Thread Mark Abraham
Itamar Kass wrote: Hi, This is strange, 'cause on the site under installing (using MPI) it is written "/In GROMACS 4.x, some of the utility programs are also MPI-aware, but these will only be for compute-intensive utilities (e.g. that diagonalize large matrices, or calculate autocorrelations,

Re: [gmx-users] run g_cover in parallel

2009-10-13 Thread Itamar Kass
Hi, This is strange, 'cause on the site under installing (using MPI) it is written "*In GROMACS 4.x, some of the utility programs are also MPI-aware, but these will only be for compute-intensive utilities (e.g. that diagonalize large matrices, or calculate autocorrelations, etc.).*". So I guess th

Re: [gmx-users] run g_cover in parallel

2009-10-13 Thread Mark Abraham
Itamar Kass wrote: Hi, I wonder if there a way to run g_cover in paralel in order to make things run faster? No. Obviously you can use -dt to reduce the number of frames you analyze. Also, what analysis programs can run in parallel? None in 4.0.x. Not sure about future plans. Matk ___