[CPMD-list] cpmd2cube crosscompilation
Eric VERFAILLIE
ericverfaillie at yahoo.fr
Fri Sep 10 09:14:57 CEST 2004
Hello,
I have done some calculation on Wannier functions on SiO2 on a NEC-SX6 with cross
compilation (modification of earth simulator makefile). I hadn't got any problem but the
binary format of WANNIER_1* files can't be read on linux PC whith cpm2cube even with the
F_UFMTENDIAN variable.
My system is too big to be run on a single processor.
I tried to cross compil cpmd2cube but with any results.
Is there any solutions.
i know that i can compil cpmd with -conversion big_endian but it doesn't work on cross
compilation.
i have done a F90 program in order to know if
F_UFMTENDIAN work and it does
program essai
real cc4
real cc8
real c4
real c8
c4 = 456.456
c8 = 789.789
! prepare little endian representation of data
open(11,file='lit.tmp',form='unformatted')
write(11) c8
write(11) c4
close(11)
! prepare big endian representation of data
open(10,file='big.tmp',form='unformatted')
write(10) c8
write(10) c4
close(10)
! read big endian data and operate with them on
! little endian machine
open(100,file='big.tmp',form='unformatted')
read(100) cc8
read(100) cc4
write (1,*) cc8,cc4
! Any operation with data, which have been read
! . . .
close(100)
stop
end program essai
with F_UFMTENDIAN=10,100
i've got
od -t x4 lit.tmp
0000000 04000000 7f724544 04000000 04000000
0000020 5e3ae443 04000000
0000030
od -t x4 big.tmp
0000000 00000004 4445727f 00000004 00000004
0000020 43e43a5e 00000004
0000030
and even with that i can't read the WANNIER_1* files with cpmd2cube whith or not
convertion in big_endian during compilation.
Regards
VERFAILLIE ERIC
=====
Si ce n'est pas strictement nécessaire.
S'il vous plaît, évitez de m'envoyer des pièces jointes au format Word ou PowerPoint.
Voir http://www.fsf.org/philosophy/no-word-attachments.fr.html
Please avoid sending me Word or PowerPoint attachments.
See http://www.fsf.org/philosophy/no-word-attachments.html
01001101001011100010000001010110011001010111001001100110
01100001011010010110110001101100011010010110010100100000
010001010111001001101001011000110000110100001010
0111100101101111011101010010011101110010011001010010000001110111
0110010101101100011000110110111101101101011001010000110100001010
Vous manquez despace pour stocker vos mails ?
Yahoo! Mail vous offre GRATUITEMENT 100 Mo !
Créez votre Yahoo! Mail sur http://fr.benefits.yahoo.com/
Le nouveau Yahoo! Messenger est arrivé ! Découvrez toutes les nouveautés pour dialoguer instantanément avec vos amis. A télécharger gratuitement sur http://fr.messenger.yahoo.com
More information about the CPMD-list
mailing list