Dear developers of NWChem.
Thank you very much for NWChem.
I'm using Gentoo Linux and I have successful compilation of NWChem-6.1 using ebuild from Gentoo Bugzilla.
After updating glibc from 2.14.1 to 2.15 version I found that nwchem crashes with error at DGEMM:
** On entry to DGEMM parameter number 3 had an illegal value
------------------------------------------------------------------------
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
16: task dft
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the specified basis set
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:pnga_matmul:ga_matmul_irreg:xerbla:double: lapack error:: 911
(rank:0 hostname pid:4857):ARMCI DASSERT fail. ../../ga-5-1/armci/src/common/armci.c:ARMCI_Error():208 cond:0
It happens with each input files.
With glibc-2.14.1 with the same input file I haven't this problem.
I hope You can help me to fix this problem.
|