Hello all,
I have been trying to install Amber9 on Ubuntu and for doing so I have been
following the instructions given in the install file distributed with
package. I am half the way through, but then at a certain point I am getting
a few errors. I was wondering if someone could help me in this.
The first issue is when I try to configure g95 file and after this I could
not execute any command properly. given below is the error message.
arun.ubuntu:~/amb/amber9/src$ ./configure g95
AMBERHOME is set to /home/arun/amb/amber9
Setting up Amber configuration file for architecture: g95
Using parallel communications library: none
The MKL_HOME environment variable is not defined.
The configuration file, config.h, was successfully created.
Now the install instructions says... "*You may wish to examine (and edit)
the config.h file at this point.*" I have been wondering what does that
means? what do i have to examine and edit in this file...? well next to this
it says
"* d. compile and install the binaries into $AMBERHOME/exe:
make serial*
"
and when i am trying to execute "make serial" in the same path i.e.
$AMBERHOME/src:
i
ts giving me the following error
arun.ubuntu:~/amb/amber9/src$ make serial
Starting installation of Amber9 (serial) at Tue Aug 3 00:27:54 EDT 2010.
cd lib; make install
make[1]: Entering directory `/home/arun/amb/amber9/src/lib'
cpp -traditional -P -xassembler-with-cpp new2oldparm.f > _new2oldparm.f
g95 -c -O0 -fno-second-underscore -o new2oldparm.o _new2oldparm.f
make[1]: g95: Command not found
make[1]: *** [new2oldparm.o] Error 127
make[1]: Leaving directory `/home/arun/amb/amber9/src/lib'
make: *** [serial] Error 2
and when i am trying to do the same in $AMBERHOME/exe, serial file does not
exist there. I feel i need to make serial from /src to /exe.. but is that
correct? and if so.. how..? and since this is not working, I am not able to
do anything further. Can anyone please help me out in this.?
Best regards,
Arun Gupta
PS: the highlighted text is the output of terminal
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Received on Mon Aug 23 2010 - 12:00:07 PDT
