[Pw_forum] compile PWSCF in SGI3000
jlwang at theory.issp.ac.cn
jlwang at theory.issp.ac.cn
Tue Jul 22 15:19:14 CEST 2003
Dear PW users,
I read read the help file of SCSL library,
find it need some changes of fft function name in PWSCF code to
campile with the scsl library,
Here is the mapping for the user to port from
complib.sgimath to the new scsl interfaces.
For FFT initialization routines:
Complib SCSL
******** *********
zfft1di --> ZZFFT (set isign = 0)
zfft3di --> ZZFFT3D (set isign = 0)
For the FFT routines:
zfft1d --> ZZFFT
zfft3d --> ZZFFT3D
--
Yours sincerely,
Jiang-long Wang
.................................
Institute of Solid State Physics,
Academia Sinica, P. O. Box 1129,
230031 Hefei, Anhui, P. R. China
Tel: 86-551-5591464
Fax: 86-551-5591434
E-mail: jlwang at theory.issp.ac.cn
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