[Pw_forum] Many tests failed on new platform

Sergey Lisenkov proffess at yandex.ru
Tue Oct 5 11:09:01 CEST 2004

Dear PWscf authors and users,

I compiled new PWscf (espresso) package on IBM PPC970 cluster both in 32-bit and 64-bit mode. First, I tested the code on example03. The Aliminium test is passed succesfully, but CO example is not passed, convergence did not reach ( number of scf cycles    =  50, number of bfgs steps    =   1). It is very strange, because on other machines this test is passed.
  On my inputs, the results are the same. On my HP cluster code finished with results 44 scf sycles, 43 bfgs sycles, but on IBM PPC970 cluster this test did 520 scf sycles, 209 bfgs sycles, and did not finish. 

So, the question is, what is the problem? I checked all libraries (atlas, lapack, lapack3e, goto-blas, essl for fftw, local fftw) - the results are the same, only the time for calculation was changed. I used different optmization flags - it did not help.

Any hints?

 Thanks a lot,
   Best wishes,

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