[gmx-users] gromacs 3.0.5 compilation on Compaq XP1000 TruUnix64

David van der Spoel spoel at xray.bmc.uu.se
Mon Nov 26 10:04:32 CET 2001

On Mon, 26 Nov 2001, Dr. Y. U. Sasidhar wrote:

>1) It now compiles. However demo script in gmxdemo still got stuck at
>editconf, genbox level.
>I found that giving -nice 0 option gets it going up to mdrun (em ). So I
>gave -nice 0 to all mdrun commands in the script. Now the script goes
>through. Note that during all this there were only two users on the system
>and other user's job seemed to be idle. I am giving accounting below: ( This
>is through telnet to our compute server; using bash shell )
If you wish you can compile the whole of gromacs without automatic nicing
check ./configure --help

>2) The same demo script if run under dtterm the following output results:
>I am always using bash.
>The output of the genbox program should appear
>": Event not found.
This I don't understand, but it could be the exclamation mark in:
if ( $?DISPLAY ) then
        echo "The output of the genbox program should appear"
        echo "in a separate xterm window!"
try taking that out

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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