Installing Amber and AmberTools on a Macbook Pro with 64-bit 2.4 Ghz Intel Core 2 Duo, running OS 10.6.3 (snowleopard) (1) make the latest OS upgrades (2) get the latest version of X-tools (3.2.2) (3) get the latest compilers (4.5). You need gcc and gfortran. The package vgcc-snwleo-intel-bin.tar.gz from http://HPC.sf.net is working. (4) This package unpacks as a usr/local directory wherever you unpacked it (5) sudo copy the contents of the individual subdirectories in to your "real" usr/local subdirectories (6) Make sure the executables are found by your PATH -- (a) add /usr/local/bin to your PATH in IN .cshrc like setenv PATH ${PATH}:/usr/local/bin BE CAREFUL!: this should be one long line. IN .bash_profile as PATH="/usr/local/bin:${PATH}" (b) make sure there are NO compilers in /usr/bin -- they will take precedence over the ones just installed (7) check the compilers: which gcc /usr/local/bin/gcc gcc -v Using built-in specs. COLLECT_GCC=gcc COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin10/4.5.0/lto-wrapper Target: x86_64-apple-darwin10 Configured with: ../gcc-4.5-20100107/configure --enable-languages=fortran --host=x86_64-apple-darwin10 --build=x86_64-apple-darwin10 : (reconfigured) ../gcc-4.5-20100107/configure --enable-languages=fortran,c++ --host=x86_64-apple-darwin10 --build=x86_64-apple-darwin10 Thread model: posix gcc version 4.5.0 20100107 (experimental) (GCC) which gfortran /usr/local/bin/gfortran gfortran -v Using built-in specs. COLLECT_GCC=gfortran COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin10/4.5.0/lto-wrapper Target: x86_64-apple-darwin10 Configured with: ../gcc-4.5-20100107/configure --enable-languages=fortran --host=x86_64-apple-darwin10 --build=x86_64-apple-darwin10 : (reconfigured) ../gcc-4.5-20100107/configure --enable-languages=fortran,c++ --host=x86_64-apple-darwin10 --build=x86_64-apple-darwin10 Thread model: posix gcc version 4.5.0 20100107 (experimental) (GCC) (8) create a home directory for AMBER. DONOT CREATE IT IN /usr/local AS SUGGESTED IN THE MANUAL -- THIS WILL CAUSE HOURS OF MISERY. I put it in my home directory: /Users/erikzuiderweg/AMBER_DIR (9) put both Amber downloads there, and unpack them with tar xvfj xxxxxxx.tar.bz2 (10) in .cshrc set: setenv PATH ${PATH}:/usr/local/bin:/Applications/Sparky.app/Contents/MacOS:$AMBERHOME setenv AMBERHOME /Users/erikzuiderweg/AMBER_DIR/amber11 in .bash_profile set: export AMBERHOME=/Users/erikzuiderweg/AMBER_DIR/amber11 (11) cd /Users/erikzuiderweg/AMBER_DIR/amber11/AmberTools/src (12) ./configure -macAccelerate gnu (takes 30 seconds) (13) make (takes 20 minutes) (14) cd /Users/erikzuiderweg/AMBER_DIR/amber11/AmberTools/test (15) make test (takes 45 minutes) (16) cd /Users/erikzuiderweg/AMBER_DIR/amber11/src (17) make sure it contains a config.h file (generated by AmberTools) (18) make serial (takes 5 minutes) (19) cd /Users/erikzuiderweg/AMBER_DIR/amber11/test (20) make test (takes 45 minutes)