Hi<br><br>I think the error is not a reason of less memory of my computer. Because in a supercomputer I see the hollowing error too.<br><br>Genbox could be run if I choose the number of atoms less than 5000.<br><br>Thanks<br>
<br>Saly<br><br>Try 824box_margin = 0.45 overlap:<br>Neighborsearching with a cut-off of 0.45<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 0.45 Coulomb: 0.45 LJ: 0.45<br>
System total charge: 0.000<br>Grid: 33 x 33 x 33 cells<br>nri = 3633, nrj = 8848<br>Try 825box_margin = 0.45 overlap: success (now 4320 atoms)!<br>Neighborsearching with a cut-off of 0.45<br>Table routines are used for coulomb: FALSE<br>
Table routines are used for vdw: FALSE<br>Cut-off's: NS: 0.45 Coulomb: 0.45 LJ: 0.45<br>System total charge: 0.000<br>Grid: 33 x 33 x 33 cells<br>nri = 3638, nrj = 8860<br>Try 826box_margin = 0.45 overlap: success (now 4326 atoms)!<br>
Neighborsearching with a cut-off of 0.45<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 0.45 Coulomb: 0.45 LJ: 0.45<br>System total charge: 0.000<br>
Grid: 33 x 33 x 33 cells<br>nri = 3644, nrj = 8872<br>Try 827box_margin = 0.45 overlap: success (now 4332 atoms)!<br>Neighborsearching with a cut-off of 0.45<br>Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>
Cut-off's: NS: 0.45 Coulomb: 0.45 LJ: 0.45<br>System total charge: 0.000<br>Grid: 33 x 33 x 33 cells<br>nri = 3649, nrj = 8908<br>Try 829box_margin = 0.45 overlap:<br>Neighborsearching with a cut-off of 0.45<br>
Table routines are used for coulomb: FALSE<br>Table routines are used for vdw: FALSE<br>Cut-off's: NS: 0.45 Coulomb: 0.45 LJ: 0.45<br>System total charge: 0.000<br><br>-------------------------------------------------------<br>
Program genbox, VERSION 4.5.4<br>Source code file: smalloc.c, line: 214<br><br>Fatal error:<br>Not enough memory. Failed to realloc 69408 bytes for nl->gid, nl->gid=0x0<br>(called from file ns.c, line 104)<br>For more information and tips for troubleshooting, please check the GROMACS<br>
website at <a href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a><br>-------------------------------------------------------<br><br>"Act like Prometheus would" (Gogol Bordello)<br>
: Cannot allocate memory<br><br>