[molpro-user] RESTART: optimization task

[Ol Ga]

Dear Molpro Users and Developers,

I observed a problem with a RESTART capability of a molpro job: MOLPRO
didn't make a restart of geometry optimization when I used mentioned
below input. It starts usual calculation - freq. calculation, then
opt.
Would I ask you please how to overcome the situation? The calculation
takes a lot of time but time-limit is a hard limit of a cluster (but
freq. calculation passed with several geom. opt. cycles).

A restart file:

***for molpro
RESTART;
memory, 500,m
geomtyp=xyz
geometry={
 9

 C              1.2161039424  -0.2039410323   0.5982856002
 C              2.0014322291  -0.2678446520  -0.5478486196
 H              2.7259403611   0.4959259713  -0.7623311408
 H              1.7916050225  -0.9833194730  -1.3218753720
 H              0.6492539822  -1.0679929648   0.8949804060
 H              1.5335932676   0.4278736078   1.4072982739
 O             -0.2716324651   0.9144777229   0.1781837837
 O             -1.8618804350  -0.5856308591   0.3288621744
 O             -1.2522679048   0.1780536793  -0.4556371056
}
basis={O=VDZ,C=VDZ,H=VDZ}
{hf;wf,40,1,0,0}
{multi,MAXIT=512;occ,24;closed,15;wf,40,1,0,0}
{rs2с,maxit=512,maxit=512}
FREQUENCIES,TASKREC=5500.2;
{optg,root=2,gradient=1.d-3,MAXIT=100,method=QSD}
--

A job aborted by time-scheduler:

***for molpro
memory, 500,m
geomtyp=xyz
geometry={
 9

 C              1.2161039424  -0.2039410323   0.5982856002
 C              2.0014322291  -0.2678446520  -0.5478486196
 H              2.7259403611   0.4959259713  -0.7623311408
 H              1.7916050225  -0.9833194730  -1.3218753720
 H              0.6492539822  -1.0679929648   0.8949804060
 H              1.5335932676   0.4278736078   1.4072982739
 O             -0.2716324651   0.9144777229   0.1781837837
 O             -1.8618804350  -0.5856308591   0.3288621744
 O             -1.2522679048   0.1780536793  -0.4556371056
}
basis={O=VDZ,C=VDZ,H=VDZ}
{hf;wf,40,1,0,0}
{multi,MAXIT=512;occ,24;closed,15;wf,40,1,0,0}
{rs2с,maxit=512,maxit=512}
FREQUENCIES,TASKREC=5500.2;
{optg,root=2,gradient=1.d-3,MAXIT=100,method=QSD}
---


Sincerely,
PhD student Oleg Gadzhiev

PS: I have read in the list about problems with restarts. i hope my
case can be successfully passed.