[Wien] x_lapw

[Yongsheng Zhang]

COMPILER: f90
COMPILERC: cc

Option:
current:FOPT:-O -convert big_endian -free
current:FPOPT:-O -convert big_endian -free
current:LDFLAGS:-L../SRC_lib
current:DPARALLEL:'-DParallel'
current:R_LIBS:-ldxml
current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas
-lredist -ltools -lscalapack -lfblacs -lblacs -lmpi

There is no MPI.

Regards,
Zhang

Peter Blaha wrote:
> What compiler are you using ? If it is ifort 10.1 there was a recent thread
> on the mailing list that one cannot use full optimization for lapw2 because of
> a compiler-optimization bug.
> So check your compiler options for lapw2 (l2main.F in particular).
>
> Yongsheng Zhang schrieb:
>   
>> Thanks Peter. This problem is solved. But when I run "x lapw2", it shows
>> " floating point exception" problem.
>>
>> Invalid null command.
>> forrtl: error (75): floating point exception
>>    0: __FINI_00_remove_gp_range [0x3ff81a6de38]
>>    1: __FINI_00_remove_gp_range [0x3ff81a76e60]
>>    2: __FINI_00_remove_gp_range [0x3ff800d4fc0]
>>    3: lapw2_ [lapw2_tmp_.F: 589, 0x120077cb4]
>>    4: main [for_main.c: 203, 0x12009cf9c]
>>    5: __start [0x120008ed8]
>> Abort (core dumped)
>>
>> It seems it is a specific problem in  Compaq machine. And while if I
>> apply the "x lapw2" in old wien2k version, it work.
>>     
>>
>
>   


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