[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-22 Thread Peter Blaha
I just want to summarize the solution to this query which we reached after some trial and error. According to a summary by B.Monnet the main change was a change of a Kernel parameter in their Linux-Server. (This could provide a hint to similar problems at other big cluster installations). Finally

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-10 Thread E B Lombardi
Thank you for the details. Regarding your version of Wien2k: which version are you running (from the directory names it seems v8)? (If there were any other responses on the W2k mailing-list, I may have missed them while the mailing-list was down). Thanks Enrico Oleg Rubel wrote: > My working c

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-10 Thread Oleg Rubel
I am running WIEN2k_08.3 (Release 18/9/2008). Regards, Oleg >>> E B Lombardi 07/10/09 4:49 AM >>> Thank you for the details. Regarding your version of Wien2k: which version are you running (from the directory names it seems v8)? (If there were any other responses on the W2k mailing-list, I may

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-09 Thread Oleg Rubel
My working configuration is: mvapich2-1.2/Intel fortran 11/MKL 10. I use SGE for job submission that takes care of booting and shutting down MPD. My experience with IntelMPI was not good. (I cannot say anything about m(va)pich.) In order to make Wien2k work with m(va)pich2 on 64-bit machines, so

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-07 Thread Lombardi, Enrico
This message (and attachments) is subject to restrictions and a disclaimer. Please refer to http://www.unisa.ac.za/disclaimer for full details. Dear Wien2k users and authors We are trying to compile mpi-parallel Wien2k lapw1/2 on an infiniband system, but have n

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-07 Thread Lombardi, Enrico
This message (and attachments) is subject to restrictions and a disclaimer. Please refer to http://www.unisa.ac.za/disclaimer for full details. Dear Wien2k users and authors We are trying to compile mpi-parallel Wien2k lapw1/2 on an infiniband system, but have n

[Wien] Compiling lapw1_mpi with HP-mpi and MKL

2009-07-06 Thread E B Lombardi
Dear Wien2k users and authors We are trying to compile mpi-parallel Wien2k lapw1/2 on an infiniband system, but have not been successful up to now. We would appreciate an indication of which combinations of mpi-library, math-library and compiler are known to work on infini-band systems? Also