Re: [gmx-users] mdrun exectutable

2008-04-08 Thread Xavier Periole
On Tue, 08 Apr 2008 15:49:10 +0200 Marilisa Neri <[EMAIL PROTECTED]> wrote: I am trying to compile by hand the mdrun executable. For this reason, I have selected just the routines that I need. Why don't you run the configure and then use "make mdrun" I think it will do what you want! I collec

Re: [gmx-users] mdrun exectutable

2008-04-08 Thread David van der Spoel
Marilisa Neri wrote: I am trying to compile by hand the mdrun executable. For this reason, I have selected just the routines that I need. I collected a list of file.c, file.h, and file.s . I compiled the files .c and .s with this command: (i) mpicc -c *.[cs] -I. -I /fftw-2.1.5/include/ -DHA

[gmx-users] mdrun exectutable

2008-04-08 Thread Marilisa Neri
I am trying to compile by hand the mdrun executable. For this reason, I have selected just the routines that I need. I collected a list of file.c, file.h, and file.s . I compiled the files .c and .s with this command: (i) mpicc -c *.[cs] -I. -I /fftw-2.1.5/include/ -DHAVE_CONFIG_H -DGMXLIB