Re: [SIESTA-L] LAM SCALAPACK

2007-06-03 Thread Sergey Lisenkov
Cherry,Which fortran compiler do you use? Vasilii is right, it looks like you compiled BLACS using incorrect settings (you can see double underscores in the end of BLACS subroutine, and only one in rdiag). This second underscore comes from BLACS settings (unless you are using g77 compiler). You

Re: [SIESTA-L] Pseudopotential for Fe and Bi

2007-06-03 Thread lan haiping
Dear Swaroop try this http://www.tddft.org/programs/octopus/pseudo.php On 6/3/07, M.Sairam Swaroop [EMAIL PROTECTED] wrote: Hi all Could someone share pseudopotentials (LDA flavor) for Bi(Bismuth) and Fe. Thanks Swaroop -- M.Sairam Swaroop Theoretical Sciences Unit JNCASR,Jakkur

Re: [SIESTA-L] LAM SCALAPACK

2007-06-03 Thread Vasilii Artyukhov
It seems to me that whichever MPI you're using is not to blame. Are you sure that you use the correct Fortran/C name conventions? The BLACS distribution, for instance, contains utilities to check the correct settings (in the INSTALL directory). 2007/6/3, Cherry Y. Yates [EMAIL PROTECTED]: It

Re: [SIESTA-L] LAM SCALAPACK

2007-06-03 Thread Cherry Y. Yates
It doesn't help. I compiled everything with mpif77 -O3 (SIESTA, BLACS, and SCALAPACK), but I still got the same errors. Thanks, Cherry --- Yurko Natanzon [EMAIL PROTECTED] wrote: Try removing -Bstatic flag, it causes such errors on many compilers On 02/06/07, Cherry Y. Yates [EMAIL