On entry to DGEMM parameter number 3 had an illegal value

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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2:25:14 PM PDT - Mon, Jul 2nd 2012
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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