[SIESTA-L] Problems Running in Parallel

Hi, I am attempting to run siesta in parallel but every time I run the program, it hangs right after displaying the input file and when I check top, it reports that siesta is using no processor time. Siesta compiled with no warnings or errors and runs fine in serial. Likewise, I receive

Re: [SIESTA-L] Performing relaxation correctly

> Dear Marcos, > Thank you for your detailed explanation. But it seems to me that > VariableCell=true calculations should give the same result as > repeating several fized cell calculations. That is exactly the point: my experience is that they should give practically the same results, if all para

Re: [SIESTA-L] parallel run

Saswata Bhattacharya a écrit : dear friends, Can anybody tell me how to install SIESTA parallely in a INTEL cluster?please write down the steps I need to do and the Libraries that I need to installif possible please attach the arch.make file regards, Saswata --

Re: [SIESTA-L] parallel run

Dear Saswata, Please search the list archives for the HOWTO by Sebastien Le Roux. Also my experience may help, but it is more related to pgf compiler on AMD machine: http://noddeat.livejournal.com/3633.html On 02/05/07, Saswata Bhattacharya <[EMAIL PROTECTED]> wrote: dear friends, Can anybody te

[SIESTA-L] parallel run

dear friends, Can anybody tell me how to install SIESTA parallely in a INTEL cluster?please write down the steps I need to do and the Libraries that I need to installif possible please attach the arch.make file regards, Saswata - Check out what you're

[SIESTA-L] Bug in iohs.F

Hi all, I had some trouble running the example in $SIESTA/Tests/h2o for siesta-2.0.1 on more than one process (ie using MPI). This test tries to output H and S using save-hs T Examing the file iohs.F, it looks like there are units that are opened for file i/o by process 0. All processes try to c