Re: [Wien] configuring parallel options using ssh

2018-09-17 Thread Laurence Marks
I suggest some background reading, e.g. http://proj1.sinica.edu.tw/~statphys/computer/buildPara.html and/or a Google search on "how to build a cluster" or similar. There are many, many details. Wien2k assumes that the system admin has setup some reasonably standard configuration. _ Professor La

Re: [Wien] configuring parallel options using ssh

2018-09-17 Thread Luc Fruchter
Thanks to clarify my poor knowledge on clusters ! Is it enough if these directories hold the case directories for Wien2k, or is other data needed ? ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinf

Re: [Wien] configuring parallel options using ssh

2018-09-17 Thread Peter Blaha
As stated in the manual, you need a "common" filesystem on all nodes which you want to use in k-parallel mode. Typically, this involves NFS (or some other "cluster-filesystem", ...). The key is, that the mount-point must be the same on all nodes, i.e. the full path to your directory/files must

[Wien] configuring parallel options using ssh

2018-09-17 Thread Luc Fruchter
There is indeed too few information from me. I try to configure the k-paralellization over several PCs connected by a regular (slow) network. I use w2web, so that commands are transparent to me. Wien2k is installed on all machines, and paths are the same on all machines. SSH works without pas

Re: [Wien] configuring parallel options using ssh

2018-09-10 Thread Laurence Marks
You state "However, a .machines file with several machines will run using all required CPUs on the machine where launched (ignoring hosts)." That implies that you have not correctly configured the command to execute the mpi task. Without knowledge of what this is on your system (mpirun, srun, othe

Re: [Wien] configuring parallel options using ssh

2018-09-10 Thread Gavin Abo
How are the several machines connected?  If the machines are connected using the currently typical 10/100 Mb/s, it is useless to do that [2].  As was mentioned before, you need either 1 Gb/s [3] or InfiniBand [4]. Are the machines setup to have common (NFS) filesystem [5,6]? The given informat

[Wien] configuring parallel options using ssh

2018-09-10 Thread Luc Fruchter
Dear users, I failed configuring the parallel options to run cases on several machines, each of them with several CPUs, driven by ssh protocol. * Configuring the parallel options with: shared memory, MPI = 0, ssh protocol, allows to run parallel jobs using several CPUs on the same machine. H