[Pw_forum] Makefile for HP-PA RISC machines

[Sergei Lisenkov]

Dear PWscf users,

I would like to anounce the make.sys files for HP-PA RISC machines under OS=HP-UX (>=11.0) in serial and parallel versions. I suggest that files will work for HP machines on Itanium platform under OS=HP-UX or True64 Unix. I suggest you have a HP f90 compiler (version >=2.4) and HP C compiler (any version), LAPACK and BLAS. I use the HP vendor math library MLIB that contain the LAPACK, BLAS and FFTW, but I don't know how to use FFTW from MLIB such CXML. I use the sorce fftw library. The main part of these files have written by Dr. Eyvaz Isaev (Moscow, Russia), the 64-bit version of these files have written by DIECKHANS,JOEY (HP-Cupertino,ex1)from HP corporation.

==================================================================================
#Serial version
CPPFLAGS = -I$(OSHOME)/include -DORIGIN -DFFTW
#Parallel version
#CPPFLAGS = -DPARA -D__MPI -I$(OSHOME)/include -DORIGIN -DFFTW 
# Fortran compiler:
#
F90 = f90
#Serial Version
FFLAGS = +O2 -w +cpp=yes +Odataprefetch +Onolimit +r8 +U77 +DA2.0 +DS2.0
F90FLAGS = $(FFLAGS) $(CPPFLAGS)
# This is needed to tell the compiler where modules are
#Serial version
#MODULEFLAG= -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH
# Parallel version
#MODULEFLAG= -I$(OSHOME)/Modules -I$(OSHOME)/PW -I$(OSHOME)/PH -I/opt/mpi/include
# Libraries:
# Serial Version
LIBS = L/opt/mlib/lib/pa2.0 -lveclib -llapack  -L/usr/local/lib/fftw-2.1.3/lib -lfftw -lm
#Parallel version
# Libraries:
#
LIBS = -L/opt/mpi/lib/pa2.0 -lmpi -ldmpi -lmpio -lmtmpi  -L/opt/mlib/lib/pa2.0 -lveclib -llapack  -L/usr/local/lib/fftw-2.1.3/lib -lfftw -lm
# Loader:
LD=$(F90)

LFLAGS = +U77 +DA2.0 +DS2.0 +O2 -lpthread $(LIBS)

#
# ar:
#
AR = ar
ARFLAGS = ruv
==================================================================================
Please, note if you want to compile PWscf in 64-bit mode, you must add in FFLAGS "+DA2.0W +noppu" and use the 64-bit version of MLIB. You must recompile fftw libvrary in 64-bit mode. Firstly, you must change the configure file in fftw. You should add:

ac_f77_mangle_type=lowercase

before the line
echo "$ac_t""$ac_f77_mangle_type" 1>&6

and compile the fftw as usually.

Please, note, there is one version of MPI that requires the argument "-stdio=i" in comman line for reading from standart output (thanks HP MPI team).

The question for Authors of PWscf. The cite from HP Fortran manual:"If your program does not need to run in 64-bit mode, there is no benefit to
compiling it in 64-bit mode. In fact, the executable program may run slower
than if compiled in 32-bit mode." Is it neccesary to compile PW in 64-bit mode? I know it gives the all memory that computer has.

Hope it helps
Best wishes,
Sergey Lisenkov