AMBER Archive (2006)

Subject: AMBER: installation problem

From: Mahalakshmi Sahasranaman (mlakshmis_at_gmail.com)
Date: Mon May 15 2006 - 13:12:51 CDT

Dear Amber users,

I have installed Amber8 on pentium 4. I am trying to install pmemd of amber8
on pentium4 and I am having difficulty. I had installed Intel compiler for
linux 9.0. SO I did
source /opt/intel/fc/9.0/bin/ifortvars.sh
Here below I have attached the contents of my "linux_p4.ifort.nopar" file
which I created.
setenv PREPROCFLAGS "-DDIRFRC_VECT_OPT"

setenv CPP "/lib/cpp -traditional "

setenv OPT_LO "ifort -c -auto -tpp7 -mp1 -O0"
setenv OPT_MED "ifort -c -auto -tpp7 -mp1 -O2"
setenv OPT_HI "ifort -c -auto -tpp7 -xW -mp1 -ip -O3"

setenv LOAD "ifort"
setenv LOADLIB " -limf -lsvml"

Then I did ./configure linux_p4 ifort nopar and created the config.h file.
I did make install in the dir $AMBERHOME/src/pmemd/src and it gets hung up
with the following message :

cd src; make install
make[1]: Entering directory `/usr/local/amber8/src/pmemd/src'
../Compile OPT_HI -P nmr_calls.f90
cat nmr_calls.f90 | /lib/cpp -traditional -P -DDIRFRC_VECT_OPT >
_nmr_calls_.f90
ifort -c -auto -tpp7 -xW -mp1 -ip -O3 _nmr_calls_.f90
_nmr_calls_.f90(227) : (col. 2) remark: LOOP WAS VECTORIZED.
_nmr_calls_.f90(228) : (col. 2) remark: LOOP WAS VECTORIZED.

Is there any mistake in these ? Please let me know how to get the pmemd of
amber8 compiled ?

Thanks,
Lakshmi

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