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On entry to DGEMM parameter number 3 had an illegal value

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When I run nwchem 6.1 , the following error message disappeared. How can I solve it?

Screening Tolerance Information
-------------------------------
Density screening/tol_rho: 1.00D-10
AO Gaussian exp screening on grid/accAOfunc: 14
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-08

** On entry to DGEMM  parameter number  3 had an illegal value
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Threads 3
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This is generally a 32bit vs 64bit integer problem. Are you using optimized blas libraries such as MKL, or similar? See http://www.nwchem-sw.org/index.php/Compiling_NWChem#Adding_optional_environmental_variable... , section "Using optimized math libraries" for a solution.

Bert


Quote:Lmyiop Jul 2nd 3:50 am
When I run nwchem 6.1 , the following error message disappeared. How can I solve it?

Screening Tolerance Information
-------------------------------
Density screening/tol_rho: 1.00D-10
AO Gaussian exp screening on grid/accAOfunc: 14
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-08

** On entry to DGEMM  parameter number  3 had an illegal value
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
** On entry to DGEMM parameter number 3 had an illegal value
xerbla:double: lapack error 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------[/quote]


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