Re: [gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

PAUL NEWMAN wrote: > PAUL NEWMAN wrote: > > Dear all: > > I made a simulation about a polyelectrolyte with some ions, it runs ok > > when I use cut-off for both Wdv and Coulomb. However I get the following > > error when I change it to PME. I attache my mdp file . Could someone > > help me to

Re: [gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

Hi, Thanks Carsten for replying so fast. In my simulation I consider a single polyelectrolyte chain consisting of 50 charged beads of valency -1 with 50 oppositely charged counterions of same valency so my system is 100 atoms. My box simulation is 400 nm x 400 nm x 400 nm and the poly

Re: [gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

By the way, line 75 in fftgrid.c should read: gmx_fatal(FARGS,"Failed to allocate %u bytes of aligned memory.",size+32); (removed d in 'allocated' and fixed %u format specifier) Best, Jerome On Tuesday 01 August 2006 11:10, PAUL NEWMAN wrote: > PAUL NEWMAN wrote: > > Dear all: > > I made a simul

Re: [gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

PAUL NEWMAN wrote: > Dear all: > I made a simulation about a polyelectrolyte with some ions, it runs ok > when I use cut-off for both Wdv and Coulomb. However I get the following > error when I change it to PME. I attache my mdp file . Could someone > help me to find what it's wrong in my file?. Th

Re: [gmx-users] Failed to allocated u bytes of aligned memory (mdrun)

PAUL NEWMAN wrote: > Dear all: > I made a simulation about a polyelectrolyte with some ions, it runs ok > when I use cut-off for both Wdv and Coulomb. However I get the following > error when I change it to PME. I attache my mdp file . Could someone > help me to find what it's wrong in my file?.