AMBER Archive (2008)

Subject: AMBER: Amber compilation with ifort

From: Andrey Semichaevsky (
Date: Wed Feb 06 2008 - 15:23:26 CST

Hello, Amber users,
 I am compiling Amber 9 with IFort compiler for x86, 64 bit architecture, on a Dell Precision 690 under Red Hat Linux Enterprise WS 4.
 The following steps were successfully executed:
 1) sh / was run in order to create the environment variables;
 2) Amber
 cd /usr/local/amber/src
 ./configure -gnucompat -nopar ifort
 The problem appeared when I tried to compile and make the code with IFort:
 cd /usr/local/amber9/src
 make serial
 Multiple errors are reported by the compiler, with the last lines:
 undefined reference to _gfortran_stop_numeric
 make[1]: [new2oldparm] Error 1
 Could you please suggest a solution to this problem, i.e., how the Amber code should be compiled with ifort - the suggestions in Amber manual did not help me to compile it. Thanks.
 Andrey Semichaevsky,
 Materials Science and Engineering,
 North Carolina State University
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