[CPMD-list] ibm-sp4

[Wone Keun Han]

HI all,

 

I finally installed cpmd on a linux pc without intel math kernel library.

IMKL still gives me trouble to link.

 

Anyway, I test using  a input file in CPMD-test/femd.

It took about 30 min to finish.

 

Then I tried run on IBM-SP4.

I compiled cpmd using IBM-SP4-SMP.

It takes more than 4 hours to finish.

 

Who can give me an idea how to use IBM-SP4?

 

Thank you,

 

 

Wone Keun Han

 

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