AMBER Archive (2006)

Subject: AMBER: amber8 compiled erro on opteron with 64 bit

From: renyanliang (yanliangren_2002_at_yahoo.com.cn)
Date: Tue May 16 2006 - 04:15:24 CDT

Dear all
   I have compiled amber8 on opteron 246 as shown:
rocessor : 0
vendor_id : AuthenticAMD
cpu family : 15
model : 5
model name : AMD Opteron(tm) Processor 246
stepping : 10
cpu MHz : 1994.354
cache size : 1024 KB
fpu : yes
fpu_exception : yes
cpuid level : 1
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8
apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr
sse sse2 syscall nx mmxext lm 3dnowext 3dnow
bogomips : 3923.96
TLB size : 1088 4K pages
clflush size : 64
cache_alignment : 64
address sizes : 40 bits physical, 48 bits virtual
power management: ts fid vid ttp

The Env set is:
#for IFC 8
source /opt/intel/cce/9.0/bin/iccvars.csh
source /opt/intel/fce/9.0/bin/ifortvars.csh
setenv NLSPATH /opt/intel/fce/9.0/lib/ifcore_msg.cat
setenv MKL_HOME /opt/intel/mkl721
setenv LD_LIBRARY_PATH
${LD_LIBRARY_PATH}:${MKL_HOME}/lib/32
################################
#For AMBER8_64
setenv AMBERHOME /usr/local/amber8_64
set path=($path $AMBERHOME/exe)

Configure is:
make clean
./configure -opteron -static ifort
make serial

the log shown I have compiled completed, but when I
run :
make test.leap
the following erro is occured:
comparing sander energies
Segmentation fault
./Run.tleap: Program error in sander (could be leap
input problem)
make: *** [test.leap] Error 1

the following erro is occured in make.log:
IPO Error: unresolved : ddot_
        Referenced in runmin.o
IPO Error: unresolved : vdinvsqrt_
        Referenced in egb.o
IPO Error: unresolved : vdinv_
        Referenced in egb.o
IPO Error: unresolved : vdln_
        Referenced in egb.o
IPO Error: unresolved : vdexp_
        Referenced in egb.o
ld: skipping incompatible
/opt/intel/mkl721/lib/32/libguide.a when searching for
-lguide
/opt/intel/fce/9.0/lib/libifcore.a(for_open_proc.o)(.text+0x3c2e):
In function `for__compute_filename':
: warning: Using 'getpwnam' in statically linked
applications requires at runtime the shared libraries
from the glibc version used for linking
/opt/intel/fce/9.0/lib/libifcore.a(for_open_proc.o)(.text+0x3d45):
In function `for__compute_filename':
: warning: Using 'getpwuid' in statically linked
applications requires at runtime the shared libraries
from the glibc version used for linking

Who can give me some advice, thanks

Best regard!

                
___________________________________________________________
ÇÀ×¢ÑÅ»¢Ãâ·ÑÓÊÏä-3.5GÈÝÁ¿£¬20M¸½¼þ£¡
http://cn.mail.yahoo.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu