[Pw_forum] install pwscf

Lorenzo Paulatto paulatto at sissa.it
Fri Jun 26 15:14:05 CEST 2009


On Fri, June 26, 2009 14:40, leila salimi wrote:
>  /opt/ibmcmp/xlmass/5.0/lib64/libmass_64.a(erfc.s64.o): In function
>  `_erfc':
>  erfc.c:(.opd+0x0): multiple definition of `erfc'
>  ../flib/flib.a(erf.o):(.opd+0x18): first defined here

Dear Leila,
it looks like new version of the IBM libraries has started to include the
erf function, in order to work-around the problem you should:
1. edit flib/Makefile and remove the line
erf.o \
2. remove the file flib/flib.a
3. recompile

>  when I check example03 with pw.x I get this error:
>  from  cfft3d  : error #         1
>        no scalar fft driver specified

Open make.sys with a text editor, and check that -D__ESSL appears in the
definition of the variable FDFLAGS. If it does not, than add it (please
note that it is a comma-separated list). Than make clean and recompile.


>  Can someone give some solution to me?

Try what I suggested and please report if it works, also please provide
the full output of configure, and the make.sys, so we can try and fix it
in time for the next version of quantum-espresso.

best regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



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