Re: AMBER: sander prob

From: <>
Date: Sat, 17 Sep 2005 15:58:51 +0530


I could found that it was an installation error. i hve pasted the error i
got during i run the "make serial" and "make test" option. i hve
gone through the mail archieve also but i couldnt get what i should do
exactly to solve this. except sander other programs are working.

when i do make serial, i get the following,
Starting installation of Amber8 (serial) at Sat Sep 17 14:47:46 IST 2005.
mkdir ../exe
mkdir: cannot create directory `../exe': File exists
make: [serial] Error 1 (ignored)
cd lib; make install
make[1]: Entering directory `/usr/local/amber8/src/lib'
cpp -traditional -P -I/usr/local/amber8/src/include new2oldparm.f >
ifort -c -w95 -tpp7 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
make[1]: ifort: Command not found
make[1]: *** [new2oldparm.o] Error 127
make[1]: Leaving directory `/usr/local/amber8/src/lib'
make: *** [serial] Error 2

when i do make test, following error comes

cd dmp; /Run.dmp
.../../exe/sander: Command not found.
  ./Run.dmp: Program error
make: *** [test.sander.no_lmod] Error 1

Kindly help me,

On 9/16/2005, "Carlos Simmerling" <> wrote:

>it sounds like your path isn't set right. there are lots of
>ways to resolve that, it depends on how much Unix
>you know. the simplest might be to put the entire path
>for sander in the script.
> wrote:
>>dear users,
>>i hve installed ifc90 and amber8 in an intel p4 machine with fedora core
>>4. when i export the path and run xleap, its working fine but when i run
>>sander (for mininimisation), it shows the message "bash sander: command
>>not found".
>>kindly suggest me a solution.
>>thanks in advance,
>>The AMBER Mail Reflector
>>To post, send mail to
>>To unsubscribe, send "unsubscribe amber" to
>The AMBER Mail Reflector
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Received on Sat Sep 17 2005 - 10:53:00 PDT
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