[CPMD-list] test run error

[Axel Kohlmeyer]

On Wed, 15 Nov 2006, Tengfei Luo wrote:

TL> Dear all:
TL> I'm new in CPMD. I compiled cpmd3.11.1 on a Sun-ultra60 machine and used the 
TL> configuration of SUN-ULTRA3-32BIT. After I got the binary cpmd.x, I was 
TL> going to do a test run. I used the input file and pp file in the folder 
TL> cpmd-test/femd. What I did was simply copy these two files into the binary 
TL> folder. I typed cpmd.x al001geo.inp > file.out, and I got this massage: 
TL> 
TL> Exec format error. Binary not executable. 

this means that your compiler flags are not compatible with the 
machine you are running on. please remove or comment out the 
-xarch -xtarget flags in the makefile, do a 'make clean' and
then 'make' again. you may want to have a look at the compiler
man page on what are the optimal flags for your hardware.

note, this is not a cpmd problem as such. if the problem persist,
i recomment you contact your local sysadmin staff.

cheers,
  axel.

TL> 
TL> I also tried to specify the pp file's path but got the same error. Below is 
TL> a copy of the makefile I got. 
TL> 
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> # Makefile for cpmd.x (plane wave electronic calculation)
TL> # Configuration: SUN-ULTRA3-32BIT
TL> # Creation of Makefile: Nov 15 2006
TL> # on SunOS kelleher 5.9 Generic_118558-09 sun4u sparc SUNW,Ultra-60
TL> # Author: luotengf
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> #
TL> SHELL = /bin/sh
TL> #
TL> #--------------- Default Configuration for SUN-ULTRA3-32BIT ---------------
TL> SRC  = .
TL> DEST = .
TL> BIN  = .
TL> #QMMM_FLAGS = -D__QMECHCOUPL
TL> #QMMM_LIBS  = -L. -lmm
TL> FFLAGS = -dalign
TL> LFLAGS = -xlibmopt -xlic_lib=sunperf $(QMMM_LIBS)
TL> CFLAGS =
TL> CPP = /usr/ccs/lib/cpp -P
TL> CPPFLAGS = -D__SUN -DFFT_DEFAULT            \
TL> 	-D__DATE__="'`date '+%b %e %Y'`'"            \
TL> 	-D__TIME__="'`date '+%T'`'"
TL> NOOPT_FLAG =
TL> CC = cc -D__SUN -fast -fns=no -xtarget=ultra3 -xarch=v8plusb
TL> FC = f95 -c -fast  -fns=no -xtarget=ultra3 -xarch=v8plusb
TL> LD = f95 -dalign -fast -fns=no -xtarget=ultra3 -xarch=v8plusb
TL> AR = /usr/ccs/bin/ar
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> 
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> # Personal Configuration
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> SRC = /home/luotengf/cpmd/older_versions/CPMD-3.9.2/SOURCE
TL> FC = f95 -c -fast  -fns=no -xtarget=ultra3 -xarch=v8plusb -I. -I$(SRC)
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> # End of Personal Configuration
TL> #--------------------------------------------------------------------------- 
TL>  -
TL> CFGDEST = ../cpmd3.9.2-sun
TL> CFGMACH = SUN-ULTRA3-32BIT
TL> #
TL> #  LIST OF FILES
TL> #
TL> ........ 
TL> 
TL> 
TL> I did a search in the list archive but could not find similar problem. 
TL> 
TL> Hope somebody can help me out. I greatly appreciate any advice. 
TL> 
TL> Regards, 
TL> 
TL> T.Luo 
TL> 
TL> 
TL> 
TL> _______________________________________________
TL> CPMD-list mailing list
TL> CPMD-list at cpmd.org
TL> http://cpmd.org/mailman/listinfo/cpmd-list
TL> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.