[Pw_forum] pwscf code on CRAY-X1

[C J Kenneth Tan -- OptimaNumerics]

Sergey,

I don't have the answers that you are looking for, but I see that the
T3E is an MPP machine while the X1 is a vector machine.  


Kenneth Tan
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C J Kenneth Tan, PhD
OptimaNumerics Ltd                    Telephone: +44 798 941 7838
E-mail: cjtan at OptimaNumerics.com      Telephone: +44 207 099 4428
Web: http://www.OptimaNumerics.com    Facsimile: +44 207 100 4572
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On 2005-12-29 04:04 +0300 Sergey Lisenkov (proffess at yandex.ru) wrote:

> Date: Thu, 29 Dec 2005 04:04:07 +0300 (MSK)
> From: Sergey Lisenkov <proffess at yandex.ru>
> Reply-To: pw_forum at pwscf.org
> To: pw_forum at pwscf.org
> Subject: [Pw_forum] pwscf code on CRAY-X1
> 
> Dear all,
> 
>   Does anybode compile espresso code (3.0) on Cray-X1 machine? I tried to do it but the compilation was failed with some routines from iotk. It seems it is because in iotk_config.h file there are no any definitions for Cray machine. Also configure define some flags "D__X1 -D__X1_COA", but they are absent in any source files. Also, the configure does not print -D__T3E flag - currently used for Cray machines.
> 
>  Any hints and suggestins are higly appreciated.
> 
>  Thanks,
>    Sergey
> 
> Total errors detected in iotk_fmt.f90: 1
>         ftn -s default64 -dp -rma -e0 -O scalar3,stream3,vector3,nointerchange -Z -O inline5 -e Z -F -I../include  -I. -I../Modules -I../PW -I../PH -I../iotk/src -c iotk_fmt.F90 -o iotk_fmt.o
>         cpp -P -C -traditional  -D__X1 -D__X1_COA -D__T3E -D__FFTW -D__USE_INTERNAL_FFTW -I../include  iotk_misc.f90 -o iotk_misc.F90
> CC-11 cpp: ERROR File = /tmp/sergey/PWSCF/espresso-3.0/iotk/src/../include/iotk_config.h, Line = 84
>   The indicated directive is not a recognized preprocessing directive.
> 
>   #warn unknown architecture, please add to iotk_config.h
>    ^
> 
> Total errors detected in iotk_misc.f90: 1
>         ftn -s default64 -dp -rma -e0 -O scalar3,stream3,vector3,nointerchange -Z -O inline5 -e Z -F -I../include  -I. -I../Modules -I../PW -I../PH -I../iotk/src -c iotk_misc.F90 -o iotk_misc.o
> 
>   string = "logical(kind="//trim(iotk_itoa(__IOTK_LOGICAL1))//")"
>                                            ^
> ftn-1725 ftn: ERROR IOTK_PRINT_KINDS_X, File = iotk_misc.F90, Line = 325, Column = 44
>   Unexpected syntax while parsing the assignment statement : "operand" was expected but found "_".
> 
>   string = "integer(kind="//trim(iotk_itoa(__IOTK_INTEGER1))//")"
>                                            ^
> ftn-1725 ftn: ERROR IOTK_PRINT_KINDS_X, File = iotk_misc.F90, Line = 327, Column = 44
>   Unexpected syntax while parsing the assignment statement : "operand" was expected but found "_".
> 
>   string = "real(kind="//trim(iotk_itoa(__IOTK_REAL1))//")"
>                                         ^
> ftn-1725 ftn: ERROR IOTK_PRINT_KINDS_X, File = iotk_misc.F90, Line = 329, Column = 41
>   Unexpected syntax while parsing the assignment statement : "operand" was expected but found "_".
> 
>   string = "character(kind="//trim(iotk_itoa(__IOTK_CHARACTER1))//")"
>                                              ^
> ftn-1725 ftn: ERROR IOTK_PRINT_KINDS_X, File = iotk_misc.F90, Line = 331, Column = 46
>   Unexpected syntax while parsing the assignment statement : "operand" was expected but found "_".
> 
> Cray Fortran: Version 5.4.0.0 (u5016f94044i30086p54142a54005e54004x9403)
> Cray Fortran: Wed Dec 28, 2005  15:57:25
> Cray Fortran: Compile time:  3.2700 seconds
> Cray Fortran: 824 source lines
> Cray Fortran: 4 errors, 0 warnings, 0 other messages, 0 ansi
> Cray Fortran: "explain ftn-message number" gives more information about each message
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
> *** Error code 1 (bu21)
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