[Wien] Wien2k parallel compilation

Sergio Yanuen Rodriguez srodriguez at physics.tamu.edu
Wed Aug 13 21:08:55 CEST 2008


Dear wien2k users:

I compiled Wien2k in parallel a few days ago on a intel core2quad
processor with fedora 8 and 8 GB in RAM.

My software is:

Kernel version 2.6.25
gcc version 4.1.2
Intel Fortran compiler 10.1.015
Intel MKL 10.0.1.014
mvapich 1.0.1
WIEN2k_08.2

I ran the TiC example in serial mode and it worked fine, but now I am
trying a more complicated system Al20V2La, but it is giving me the
following error:

Calculating Al20V2La in /root/Al20V2La
on dhcp16.physics.tamu.edu with PID 23607

    start 	(Wed Aug 13 13:50:51 EDT 2008) with lapw0 (40/99 to go)

    cycle 1 	(Wed Aug 13 13:50:51 EDT 2008) 	(40/99 to go)

>   lapw0 	(13:50:51) 66.395u 13.483s 1:19.90 99.9%	0+0k 0+2760io 0pf+0w
>   lapw1   	(13:52:11)
MKL func load error: /opt/intel/mkl/10.0.1.014/lib/em64t/libmkl_vml_mc.so:
undefined symbol: vmlGetErrorCallBack
3.220u 0.151s 0:03.37 100.0%	0+0k 0+1920io 0pf+0w
error: command   /root/WIEN/lapw1 lapw1.def   failed

>   stop error

Does anyone have an idea of what is going on?

Thank you for your help

Sergio Y. Rodriguez
Physics Department
Texas A&M University




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