[molpro-user] rs2 : aborting the run

[eurisco1 at pochta.ru]

Dear Molpro Users and Developers,

Would I ask you how to overcome error described below?
If I am trying to performe TS search by using script following below  

***,ts search for ozon+c2h4 CAS(14,11)PT2
 geomtyp=xyz
 geometry={
  9
 C        0.000000000      0.000000000      0.000000000
 C        0.000000000      0.000000000      1.344716000
 H        0.923154000      0.000000000      1.904281000
 H       -0.920887000     -0.078524000      1.903456000
 H       -0.917758000      0.092089000     -0.561788000
 H        0.916149000      0.145561000     -0.553248000
 O        0.133001000     -1.992909000     -0.307135000
 O       -1.971441000     -2.278707000     -0.932536000
 O       -1.082462000     -2.585510000     -0.056959000
 }
 basis=VdZ                                                                      
 {hf;wf,40,1,0,0}
 {multi;occ,24;closed,13;wf,40,1,0,0}
 rs2
 MAXITER,512,512;
 optg,root=2,gradient=1.d-5
 ---

the program aborts with error message (out file)


Convergence thresholds:  THRVAR = 1.00D-10  THRDEN = 1.00D-08

 Number of optimized states:  1  Roots:   1
 Number of reference states:  1  Roots:   1

 Reference symmetry:                   1   Singlet 
 Number of electrons:                 40
 OFFSET ERROR ANIL
 ish1,isy1,ica,ice                      4                     1
                185514                496786

 nsof1
         1     2     3     4     5     6     7     8
   1     0620956************************************
   2     0650956************************************
   3  3102685906************************************
   4185514806470************************************
   5306078927034************************************
   6426642******************************************
   7547206******************************************
   8590956******************************************

 nshl1
         1     2     3     4     5     6     7     8
   1     0620956************************************
   2  3102650956************************************
   3 71610685906************************************
   4496786806470************************************
   5597599927034************************************
   6503697******************************************
   7552277******************************************
   8590956******************************************

------------------
error message (in console)

0:SigIntHandler: interrupt signal was caught: 2
(rank:0 hostname:dual pid:26294):ARMCI DASSERT fail. signaltrap.c:SigIntHandler():69 cond:0
Last System Error Message from Task 0:: Inappropriate ioctl for device
0:SigIntHandler: abort signal was caught: cleaning up: 2
  0: ARMCI aborting 0 (0).
  0: ARMCI aborting 0 (0).
system error message: Inappropriate ioctl for device
WaitAll: Child (26294) finished, status=0x100 (exited with code 1).

It seems to be a convergence error. But how to treat it? I want (if possible) to use RS2 because analytical gradients are available.
Please, take in mind that CAS(14,11)/cc-pVDZ calculations were performed successfully (ts search and IRC).

Sincerely,
PhD student Oleg B. Gadzhiev















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