Re: [SIESTA-L] Compilation issues

2017-12-22 Por tôpico Jones de Andrade
Hi all. First of all, sorry for the double messaging. Well, I'm still far from solving it, but now at least it consistently fails only because it want to run in serial mode. Also, I tried to run it with mpirun from both the intel compiler and a somewhat old openmpi available in the cluster.

Re: [SIESTA-L] TBtrans netcdf

2017-12-22 Por tôpico Jean-Joseph Adjizian
Dear Nick, Thank you for your response, I made corrections to my arch.make according to your suggestions. The error was due to mpif90 for some reason in my arch.make. I tried to use mpiifort instead and that just compiled with no error. Is there a specific reason why mpif90 caused a

[SIESTA-L] Compilation issues

2017-12-22 Por tôpico Jones de Andrade
Dear Siesta users. I'm new to Siesta program, and I'm having a bit of a nightmare in order to compile it with MPI support under intel compiler and mkl. I already tried several arch.make files found on the web, as well the example ones that come with the code. In every trial, something different

Re: [SIESTA-L] error in parallel installation

2017-12-22 Por tôpico Sunetra Das
Dear Nick Sir, Thank you for your guidance. Which one should I use for all the compilations? mpich or openmpi? I have tried using openmpi for all compilations, blacs and siesta and the other related packages. Then the installation gets completed error free, but which running siesta in parallel, I

Re: [SIESTA-L] 'Segmentation fault - invalid memory reference' when running siesta in parallel

2017-12-22 Por tôpico RCP
Troubles with your BLACS library, most likely. Have you tested it before? Regards, Roberto On 12/21/2017 03:09 PM, Sunetra Das wrote: Hello siesta users, I am getting the following error whenever I am running siesta-3.2-pl3 in parallel. Can anyone please tell me what these errors mean? Any