[CPMD-list] Help,some question about cpmd-3.9.2

[=?gb2312?B?wu3J0NLl?=]

Dear Axel and other CPMD users:
     Recently I completed my small NFS cluster which constist of 4 P4 2.4G PC machines and compilied the new version CPMD 3.9.2. This is my compilation steps: firstly I install the pgi5.2 compiler and then compile lam-7.1.1 with pgf90, lastly I use the configure file PC-PGI-MPI and get the cpmd.x executalbe. There is some questions appearing after some exemple testing with the new cpmd.x. 
    The first question is I find the cpu efficiency is very low if I use the lamboot machicefile like this:
"tf0
 tf1
 tf2 
 tf3" 
it's just about 25%. So I assumed I have 4 cpu in per computer and write the lamboot machinefile like this:
"tf0
 tf0
 tf0
 tf0
 tf1
.......
 tf3"
 in this case, the total cpu efficiency is about 80%. Could anyone tell me if I want to improve the cpu effiency what shout I do? Is there anything wrong in my cluster or my lamboot machinefile?
    The second question is that I use the cpmd-test input file under the directory of /CPMD-test/metadynamics/ANALYSIS, the resutlt I get about the total energy is -25.80212091 A.U. and the result from the origin test-out is -25.80212047 A.U., does it mean that my compilation is sucessful though there is little difference?
    The third question is I find I take about 7 hour to complete the above test example with 4 nodes and it's just 1 hour in the cpmd-test. It displays in my outfile is 

 " CPU TIME :      0 HOURS 31 MINUTES 43.19 SECONDS
   ELAPSED TIME :  7 HOURS 14 MINUTES 10.19 SECONDS
"
and in the origin test-outfile it shows

" CPU TIME :    0 HOURS 42 MINUTES 22.85 SECONDS
   ELAPSED TIME :    1 HOURS  0 MINUTES 52.24 SECONDS
"
I don't know how many nodes in the origin cpmd-test computation, but I think I waste much of time on something eles. So how and what should I do if I want to improve my cpmd.x performance? Please help me if you have any advice!
    The fourth  question is that I compiled two different cpmd executable, cpmd1.x (7712K) and cpmd2.x (10148K). I get the cpmd1.x with the default blas/lapck from the linux installation and the cpmd2.x with the "Optimized LAPACK/BLAS/ATLAS Library Binaries - libatlas_p4.a " from Axel web. I find the cpmd1.x and cpmd2.x have about the same computation time in the above example testing. Does it mean there is something wrong in my compilation? The following is my Makefile, please check and correct it if anyone have good advice to improve its performance:
#----------------------------------------------------------------------------
# Makefile for cpmd.x (plane wave electronic calculation)
# Configuration: PC-PGI-MPI
# Creation of Makefile:  6    7 2005
# on Linux tf3 2.4.20-8 #1 Thu Mar 13 17:54:28 EST 2003 i686 i686 i386 GNU/Linux
# Author: shyma
#----------------------------------------------------------------------------
#
SHELL = /bin/sh
#
#--------------- Default Configuration for PC-PGI-MPI ---------------
SRC  = .
DEST = .
BIN  = .
#QMMM_FLAGS = -D__QMECHCOUPL
#QMMM_LIBS  = -L. -lmm
FFLAGS = -Mr8 -pc=64 -tp p7
LFLAGS = -L. -latlas $(QMMM_LIBS)
CFLAGS =
CPP = /lib/cpp -P -C -traditional
CPPFLAGS = -D__Linux -D__PGI -DFFT_DEFAULT \
               -DPARALLEL -DMYRINET -D__pgf90
NOOPT_FLAG =
CC = mpicc -O3 -Wall
FC = mpif77 -c -fastsse
LD = mpif77 -fastsse
AR = ar
#----------------------------------------------------------------------------

#----------------------------------------------------------------------------
# Personal Configuration
#----------------------------------------------------------------------------
SRC = /home/shyma/CPMD/SOURCE
FC = mpif77 -c -fastsse -I. -I$(SRC)
#----------------------------------------------------------------------------
# End of Personal Configuration
#----------------------------------------------------------------------------
CFGDEST = ../cpmd-pc-pgi-mpi
CFGMACH = PC-PGI-MPI  

Thanks in acvance!
Best wishes!
                                                                             shyma
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