benchmark.tar.gz - error
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ashinde
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benchmark.tar.gz - error
I untarred benchmark.tar.gz, and typed the directory where vasp resides, I got the warning , but I also got an ERROR! saying that I need to change IALGO=8 to IALGO=38 or IALGO=48. How do I do this? Is this in the original makefile? (I am installing vasp.4.6)
Last edited by ashinde on Tue Feb 14, 2006 10:14 pm, edited 1 time in total.
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admin
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benchmark.tar.gz - error
please read the online manual concerning IALGO:
http://cms.mpi.univie.ac.at/vasp/vasp/node123.html
IALGO=8 is copyright protected for all VASP releases up from vasp.4.5. IALGO=38 also invokes a blocked Davison iteration scheme for electronic convergence.
so, there is nothing wrong with your installation, just change the tag from 8 to 38 in INCAR
Alternatively, set ALGO=Normal or Fast
http://cms.mpi.univie.ac.at/vasp/vasp/node122.html
http://cms.mpi.univie.ac.at/vasp/vasp/node123.html
IALGO=8 is copyright protected for all VASP releases up from vasp.4.5. IALGO=38 also invokes a blocked Davison iteration scheme for electronic convergence.
so, there is nothing wrong with your installation, just change the tag from 8 to 38 in INCAR
Alternatively, set ALGO=Normal or Fast
http://cms.mpi.univie.ac.at/vasp/vasp/node122.html
Last edited by admin on Wed Feb 15, 2006 3:26 pm, edited 1 time in total.