[molpro-user] Fwd: Fwd: Linesearch

[Satyam Srivastava]

Dear Sir,
My output is here....
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Primary working directories    : /data2/satyam
 Secondary working directories  : /data2/satyam
 Wavefunction directory         : /home/satyam/wfu/
 Main file repository           : /data2/satyam/

 SHA1      : c51528690e241e4bfddaa1efad45229768b24895
 NAME      : 2012.1.15
 ARCHNAME  : Linux/x86_64
 FC        : /usr/bin/gfortran
 FCVERSION : 4.4.5
 BLASLIB   : -L/home/sham/acml4.4.0/gfortran64_int64/lib -lacml -lacml_mv
 id        : iisermohali

 Nodes     nprocs
 clus23       1

 Using customized tuning parameters: mindgm=12; mindgv=16; mindgc=1;
mindgr=1; noblas=0; minvec=7
 default implementation of scratch files=df

 ***,h2o.inp
 basis=6-31g*
 symmetry,nosym
 angstrom
 geometry={o;h,1,r;h,1,r,2,theta}
 r=0.92
 theta=179.999999
 hf
 {optg;LINESEARCH}

 Variables initialized (781), CPU time= 0.01 sec
 Commands  initialized (547), CPU time= 0.03 sec, 516 directives.
 Default parameters read. Elapsed time= 0.14 sec

 Checking input...

 Unknown directive LINESEARCH for command OPTG

    1 input errors found

 ? Error
 ? Input errors!
 ? The problem occurs in check_input
~
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On Tue, Oct 28, 2014 at 9:57 PM, Andy May <MayAJ1 at cardiff.ac.uk> wrote:

> Satyam,
>
> I don't see this error when I try, which version of Molpro are you using?
> Can you attach the complete output file?
>
> Best wishes,
>
> Andy
>
>
> On 28/10/14 09:58, Satyam Srivastava wrote:
>
>>
>>
>>
>> Hi molpro users,
>> I am trying linesearch in order to interpolate geometry ........I am
>> getting following error.
>>
>>
>>
>> Here is my input.....
>>   ***,h2o.inp
>>   basis=6-31g*
>>   symmetry,nosym
>>   angstrom
>>   geometry={o;h,1,r;h,1,r,2,theta}
>>   r=0.92
>>   theta=179.999999
>>   hf
>>   {optg;LINESEARCH}
>>
>> --------------------
>> outout
>>   A part of my output
>>   Unknown directive LINESEARCH for command OPTG
>>
>>      1 input errors found
>>
>>   ? Error
>>   ? Input errors!
>>   ? The problem occurs in check_input
>>
>>
>> Your's
>> Satyam Ravi
>>
>>
>>
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
>>
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