[CPMD-list] installation of parallelized version for MAC darwin

[Yun-an Yan]

Dear all,

when I try to install the parallelized version of CPMD in MAC OS, the  
executable
is produced successfully and the speed of it is 10% slower than the  
single CPU
version. But from the output there are something unpleasure. Please  
check the
following for details.

COMPILER: MPICH2, Intel C/Fortran compiler

$ more Makefile
#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
LD = mpif90 -O1
LFLAGS = -Xlinker -lsvml -L. \
                   -L/opt/intel/mkl/lib/em64t -llapack -lblas \
                    -lguide -Vaxlib
#LFLAGS =  -llapack -lblas -lm -lpthread -lifport -lifcore
CPP = /usr/bin/cpp -P -C -traditional
CPPFLAGS = -D__alpha -DFFT_DEFAULT -DPOINTER8  -DALPHALINUX \
                            -DPARALLEL -DMYRINET -DLINUX_IA64_INTEL
CC = mpicc -c -O1
CFLAGS = -O1
FC = mpif90 -c -I. -I$(SRC)
FFLAGS = -O1

The code cannot be compiled with the option -D__OSX and I have to
use the stupid thing like -DALPHALINUX for MAC system.

$ mpirun -np 2 ./cpmd.x CPMD_inp.run .
........
........
***  RINFORCE| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
  ***    FFTPRP| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
  ***   CLUSTER| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
........
........
***   INTERPT| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
  ***     PHFAC| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
  ***    ATOMWF| SIZE OF THE PROGRAM IS (unknown) kBYTES ***
......

One sees that there are many unknowns.

who has idea for that?

Thank you so much for your consideration.


Best wishes,
Yun-an Yan


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