Dear Arqum, *Did you resolve the compile time errors?* Wien2k is not expected to run correctly if you do not remove the errors.
Previously, you said your system is configured as follows: wien2k version10 pentium (R) dual core Xenon processor fortran compiler 11.0.074 math libraries 10.1.0.015 *icc compiler ?* If that is the case, I believe appropriate compile options are: *Compiler Option: *ifort *C Compiler Option:* icc *Parallel f90 compiler: *mpiifort Informational links on compiling of Wien2k for parallel computing that might be useful: http://dft-blog.natanzon.eu/2010/03/parallel-compilation-of-wien2k-on-intel.html http://baike.baidu.com/view/7140479.html?tp=7_01 The errors you reported below are too general to know what your problem might be. For example, one of your error messages is "SRC_lapw1/compile.msg:make: *** [rp] Error 2". For this message, you should open in a text editor the "compile.msg" file found in the "SRC_lapw1" folder of your Wien2k installation. This file should contain more specifics on the cause of the error. ** Best Regards, Gavin On 12/26/2011 12:41 AM, arqum hashmi wrote: > Dear users, > i am the student of Ph.D in south korea. . > i am the new user of wien2K. i tried hard to install it. i installed > it now but with folowing errors. i want your kind cooperation for > installing it succesfully (with no errors). i will be really very > thankful to you for this kind act. > ** > *A) _when i compiled it with these options_* > ** > *Compiler Option*: mpiifort > *C Compiler Option*: mpicc > *Parallel f90 compiler*: mpirun > i find out these errors > Compile time errors (if any) were: > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw1/compile.msg:make: *** [rp] Error 2 > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw1/compile.msg:make: *** [cp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw2/compile.msg:make: *** [rp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1 > SRC_lapw2/compile.msg:make: *** [cp] Error 2 > *B) _when i compiled it with these options_* > ** > *Compiler Option*: mpiifort > *C Compiler Option*: icc > *Parallel f90 compiler*: mpif90 > i find out these errors > Compile time errors (if any) were: > SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 127 > SRC_lapw0/compile.msg:make: *** [para] Error 2 > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 127 > SRC_lapw1/compile.msg:make: *** [rp] Error 2 > SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 127 > SRC_lapw1/compile.msg:make: *** [cp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [reallocate.o] Error 127 > SRC_lapw2/compile.msg:make: *** [rp] Error 2 > SRC_lapw2/compile.msg:make[1]: *** [reallocate.o] Error 127 > SRC_lapw2/compile.msg:make: *** [cp] Error 2 > SRC_vecpratt/compile.msg: signal ( SIGBUS, w2ksignal_bus ); > /* Bus Error */ > SRC_vecpratt/compile.msg: signal ( SIGBUS, w2ksignal_bus ); > /* Bus Error */ > Please guide me which oprions is best or are these serious problems > and how i remove these errors. I will be grateful if you would give > me reply. > Thanks and Regards > Arqum Hashmi > > > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20111226/fd766a1c/attachment.htm>