[Smeagol-discuss] Problem in compile and test by ifort11.0

bosong bosong at sinap.ac.cn
Mon May 4 12:44:58 IST 2009


Dear evreyone,

I have already completed the compile.
There is also no problem in testing the examples of Smeagol.

But in the simple case of molecular junction (Al-S-benzene-S-Al) by myself,
I meet a hard problem, the log-files are attached as log_parallel and
log_serial in the tar-file.
The compilor used by us is ifort11.0, version of Smeagol is smeagol.1.0.b,
while lapack, blas and linpack are directly from Smeagol.
For your convenience, the Makefile and input-files are also attached.

Looking forwards to the kindly response/helps from you.
Sincerely,
Bo

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