[Pw_forum] Installation Error

Paolo Giannozzi giannozz at nest.sns.it
Mon Apr 14 16:15:25 CEST 2003


> I am beginner with Linux and PWscf and I have problems with installation.
> I am using  AMD processor and Red Hat 8 with IFC + Atlas libraries
> (modified)

if you modify libraries, you aren't any longer a beginner :-)

> + FFTW3.

you mean the soon-to-be-released FFTW version 3 ? It's
not (yet) supported, it will not work. The FFTW driver assumes 
FFTW version 2.1.3. Version 3 is (according to the FFTW web 
site) incompatible with version 2.

> ./configure: line 30: /PW-root/flib/intel.pcl: No such file or directory
> [...]
> ./shdep: line 47: cd: ../FPMD: No such file or directory
> ./shdep: line 54: cd: ../flib: No such file or directory
> ls: ../FPMD/*.f90: No such file or directory
> ./shdep: line 61: cd: ../CPV: No such file or directory

these are irrelevant

> cdiagh.o: In function `cdiagh_':
> cdiagh.o(.text+0x12b): undefined reference to `zheev_'
> cdiaghg.o: In function `cdiaghg_':
> cdiaghg.o(.text+0x221): undefined reference to `zhegv_'

your (modified) Atlas library does not contain all Lapack subroutines.
Maybe it wasn't modified in the right way: instructions on how to 
produce an Atlas library including all Lapack subroutines can be 
found in the distribution of the Atlas library. Use "nm" to see what 
is present in a library and what is not.


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050509412
Piazza dei Cavalieri 7      Fax:     +39/050509417, 050563513     
I-56126 Pisa, Italy         Office:  Lab. NEST, Via della Faggiola 19

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