AMBER Archive (2004)

Subject: Re: Re: AMBER: Running on MPI

From: Wu Yingliang (wuyliang_at_public.wh.hb.cn)
Date: Wed Oct 13 2004 - 08:49:48 CDT

Dear Prof. Carlos L. Simmerling,

Thanks a lot for your warm-hearted reply!

Recent days, I try my best to install AMBER 7 again, however, I can not succeed too.

I have read the "Running Amber on AMD opteronshttp://amber.scripps.edu/opteron.html", however, there is no config.h file in amber7. I also do not know to use it if I add it in the amber7 or amber7/src directory.

Now, the wrong messages are as following:
 
**************************************

cd src
make install
 
....
 
cd lib; make install
make[1]: Entering directory `/home/wxli/amber7/src/lib'
./Compile L0 -P -DNEWPARM nxtsec.f
cat nxtsec.f | /lib/cpp -traditional -P
-DNEWPARM -DLinux -DMPI > _nxtsec_.f
pgf77 -c -g -tp k8-64 -Mnoframe
-Msecond_underscore _nxtsec_.f
./Compile LOAD -o new2oldparm new2oldparm.o nxtsec.o
pgf77 -o new2oldparm new2oldparm.o nxtsec.o -lmmv new2oldparm ../../exe
make[1]: Leaving directory `/home/wxli/amber7/src/lib'
 
cd addles; make install
make[1]: Entering directory `/home/wxli/amber7/src/addles'
  cd ../lib; ./Makelist ../lib/random.o ../lib/mexit.o ../lib/nxtsec.o
  make[2]: Entering directory `/home/wxli/amber7/src/lib'
  ../Compile L2 -P -DDPREC -o random.o random.f
  cat random.f | /lib/cpp -traditional -P -DDPREC -DLinux -DMPI > _random_.f
  No more processes.
  make[2]: *** [random.o] Error 1
  make[2]: Leaving directory `/home/wxli/amber7/src/lib'
  make[1]: *** [libobj] Error 1
  make[1]: Leaving directory `/home/wxli/amber7/src/addles'
  make: *** [install] Error 2
 
 
...
  
**********************************************

Wrong messages indicate that programe can not find file "random.o" during making install after "cd addles". However, If I direct do "/Compile L2 -P -DDPREC -o random.o random.f" in the directory of amber7/src/lib, Then this wrong message will disappear, however, other wrong messages come too.

We suspect there is something wrong for file "Makefile" or other places, right?

Looking forward to your help once more!

Highly Thank you very much in advance!

Best wishes,

Yingliang Wu

 
>======================================================================
>　　have you read and followed the Opteron compiling instructions
>on the AMBER web page?
>http://amber.scripps.edu/opteron.html

>>wish_71 wrote:

>>Dear Prof. Carlos L. Simmerling,
>>
>>Thanks a lot for your reply!
>>
>>The processes are AMD Opteron 244. Before we make install, we just modifer P6 bythe K8-64 in the MACHINE file. The wrong messages are as following through using Machine.pgf77_mpi:
>>
>>=============================================================
>>
>>1004.html)
>>
>>
 
        

                        

　　　　　　　
2004-10-13
=======================================
College of Life Science
Wuhan Univeristy
Wuhan, China
Email: wuyliang_at_public.wh.hb.cn
=======================================

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