[gmx-users] Allocation memory failure with g_msd (version 4.5.X)

[Javier Cerezo]

Hi all.

I found a memory allocation problem when using g_msd in verions 4.5.1 
and higher when the option -mol is enabled. Here you have the command 
line input:

$ g_msd -f DPPC_run -s DPPC_run -n -lateral z -o D_mol -b 10000 -mol

And the error message:

------------------------------------------------------------------------------------------------------------------------
Program g_msd, VERSION 4.5.3
Source code file: smalloc.c, line: 214

Fatal error:
Not enough memory. Failed to realloc 8192 bytes for stats->y, stats->y=0x0
(called from file gmx_statistics.c, line 110)
------------------------------------------------------------------------------------------------------------------------

As monitored with top command, thats actually what is happening: program 
start to take a lot of memory from buffer until it crash. However this 
is not the case when the option -mol is not request or when using 
previous versions (even with -mol option). Am I doing something wrong? 
Is there anything extra to care about when submitting g_msd from 
versions 4.5.X?

Thanks for your attention.

Javier

-- 
Javier CEREZO BASTIDA
Estudiante de Doctorado
---------------------
Dpto. Química-Física
Universidad de Murcia
30100 MURCIA (España)
Tlf.(+34)868887434