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"Adjust the make build by changing -lmkl_intel_lp64 to -lmkl_intel_il64"
the compilation is successfully.
But when i try to run it gives rise the follow error:
...
dipole moment of classical point charges (au)
X Y Z
-0.2492 -0.2300 -0.2814 total (Debye): 1.120
Nbf : 30
T(el) : 300.0
calculating S/T integrals ...
cpu time for ints 1.075000000000001E-003
Nao : 30
making H0...
making H1...
cpu time for H 1.110000000000000E-004
solving ...
Intel oneMKL ERROR: Parameter 1 was incorrect on entry to DSYGVD.
diag error
When i try to compile the 64bits version:
"Adjust the make build by changing -lmkl_intel_lp64 to -lmkl_intel_il64"
the compilation is successfully.
But when i try to run it gives rise the follow error:
...
dipole moment of classical point charges (au)
X Y Z
-0.2492 -0.2300 -0.2814 total (Debye): 1.120
Nbf : 30
T(el) : 300.0
calculating S/T integrals ...
cpu time for ints 1.075000000000001E-003
Nao : 30
making H0...
making H1...
cpu time for H 1.110000000000000E-004
solving ...
Intel oneMKL ERROR: Parameter 1 was incorrect on entry to DSYGVD.
diag error
This output is for the example https://hackmd.io/@o_wZpkUYSNeE_lvbb5NqGQ/ryrpH49M5
Using the 32bits version all the steps were successful.
I also tried to change the include directory and change il to ilp.
The text was updated successfully, but these errors were encountered: