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
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