[CPMD-list] cpmd2cube compilation

[Alex Merchant]

Hi Aspi

Thanks for the help, I thought about it and realised I didn't need mpif90 but should be using xlf90 and got cpmd2cube compiled using the IBM-SP4 option and  made the following changes:

Running on an IBM PWR5 Linux (SUSE) with ESSL stored in /usr/local/IBMMATH/essl/4.2/include

12,15c12,16
< FC    = xlf90 -O3 -qstrict  -qarch=pwr4 -qxlf77=leadzero 
< FFLAGS        = -WF,"-D__AIX,-DFFT_ESSL" -qsuffix=cpp=F -qmaxmem=32768 
< LFLAGS        = -O3 -bmaxdata:2048000000 -bmaxstack:1500000000
< LIBS  = -lessl -bbinder:/usr/lib/bind
---
> FC    = xlf90_r -O3 -qstrict  -qarch=pwr5 -qxlf77=leadzero 
> FFLAGS        = -WF,"-DFFT_ESSL" -qsuffix=cpp=F -qmaxmem=32768 
> LFLAGS        = -O3 
> # -bmaxdata:2048000000 -bmaxstack:1500000000
> LIBS  = -lessl -L/usr/local/IBMMATH/essl/4.2/include 
30c31
< CFGMACH = IBM-SP4
---
> CFGMACH = IBM-SP5

I also had to edit util.F to add the GETARG command

#else
    CALL getarg(m,string)
!    STOP 'no interface to getarg for this platform. please add it to util.F.'

which I checked using the reference at

http://www.cepba.upc.es/docs/ibm_doc/manfortran/lr02.htm 

Ta again

Alex Merchant