Amber on Seawulf (compilation)
From Rizzo_Lab
compiling Amber9
Follow the steps in the INSTALL file.
At step 5, edit config.h by change g95 to gfortrain.
The following lib file is not found by the compiler
/usr/include/X11/extensions/shape.h
I copied the following dir from another machine:
/usr/include/X11/extensions
and put it in my home dir in:
~/usr/include/X11/extensions
I modified the files changing the reported line number:
/nfs/user03/tbalius/amber9/src/leap/src/Xmu/ShapeWidg.c line: 27 /nfs/user03/tbalius/amber9/src/leap/src/Xraw/Logo.c line: 26 /nfs/user03/tbalius/amber9/src/leap/src/Xraw/Mailbox.c line: 64 from: #include <X11/extensions/shape.h> to: #include </nfs/user03/tbalius/usr/include/X11/extensions/shape.h>
instead we should have
/usr/include/X11/extensions/shape.h x11proto-xext-dev
installed.
I get the following Error:
/usr/bin/ld: cannot find -lXext
possible solutions:
cd /usr/lib ln -s ./libXext.so.6.4.0 ./libXext.so
instead I did the following:
cd ~/user mkdir lib ln -s /usr/lib/libXext.so.6.4.0 libXext.so cd ../ ln -s lib lib64 ln -s lib lib32
Then I changed the following file at the specified line:
amber9/src/leap/src/leap/Makefile line:117
from:
../Xmu/libXmu.a $(XLIBS) -lXt -lXext -lSM -lICE -lX11 $(LM) -lpthread
to:
../Xmu/libXmu.a -L/nfs/user03/tbalius/usr/lib/ -lXext -L/usr/lib/ -lXt -lSM -lICE -lX11 -lm -lpthread
In progress.