[Pw_forum] Problems in compiling pw.x and ph.x using XLF and ESSL on IBM-PPC

Zhong-Li Liu zl.liu.caep at gmail.com
Wed Dec 24 13:54:36 CET 2008

Dear Paolo,

  I can successfully configure before make using "./configure
--disable-parallel" during the compilation of 4.0.4 version, and make is
also sucessful without error messages. The compiler is XLF  and lib is ESSL.
But when I ran the examples using pw.x and ph.x,
complaints always appear saying:

"      from  cfft3d  : error #         1
       no scalar fft driver specified

      stopping ..."

Before I have consulted you about this, and following your suggestions and
the previous mail-list's disscussions  I set

DFLAGS         =  -D__ESSL
FDFLAGS        =  -D__ESSL

then the pw.x is ok, but ph.x complains "Segmentation Fault".

The above is  for the serial version, in the following I list the parallel
version problems.

The configure can not recognize my parallel environment, so I modified
make.sys which is also attached. The compilation is also
ok, but when running ph.x it complained :

" ** On entry to ZHPEV  parameter number  1 had an illegal value"

After searching the mail-list, I found you have said it may be because the
appearance sequence of ESSL and lapack libs. So
I have tried reversed the sequence of the two libs, but the error message
still appears.

So could you find some missettings of the compilation parameters and
something wrong? Please do me a favour. Thank you very

Best wishes,

Z. Liu

N.B. The linux system is SUSE for ppc machine.

>2008/12/22 Paolo Giannozzi <giannozz at democritos.it>>- Hide quoted text -

>Zhong-Li Liu wrote:

> I have also some problems in compiling pw.x and ph.x using ESSL libs
> on PPC . Could you attach a copy of your make.sys file?

>a make.sys for a BG/P machine is likely useless on any other
>machine. Which compilation problem do you have? recent versions
>of q-e should work on ibm machines of all kinds

>Paolo Giannozzi, Democritos and University of Udine, Italy

PhD. student of IAMP,  Sichuan University, China
E-mail: zl.liu.caep at gmail.com
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