Hi Ian,

works for me i suspect you use the old way.. but speculating

mkdir build-serial
cd build-serial
cmake ../ -DWITH_MPI=off
make -j

shall work and in bin/DLPOLY.Z shall appear

Regards,
Alin
Without Questions there are no Answers!
______________________________________________________________________
Dr. Alin Marin ELENA
http://alin.elena.space/
______________________________________________________________________
On Thu, 18 Oct 2018 at 15:24, Ian Rosbottom <[log in to unmask]> wrote:
>
> Hi all,
>
>
>
> I am trying to compile DL_POLY 4.09 in serial mode and in compilation it is complaining that it cannot find ‘m_zbl.mod’.
>
>
>
> I also cannot find that in any file either.
>
>
>
> Does anyone have any advice?
>
>
>
> Kind regards, Ian
>
>
>
> From: DL_POLY Mailing List [mailto:[log in to unmask]] On Behalf Of Miro, Pere
> Sent: 25 September 2018 14:05
> To: [log in to unmask]
> Subject: Re: Simple Program
>
>
>
> Dear Rajamakrishna,
>
> that kind of simulation is not a classical molecular dynamics but a quantum mechanical one. Unless kept invariant, oxidation states can only be defined when electrons are treated explicitly (ab initio MD). Also, it does not look like a simple simulation to me.
>
> best
>
> Pere
>
>
>
> On 9/25/18 3:02 AM, Rajaramakrishna wrote:
>
> Dear DL_Poly members,
>
>
>
>
>
> Please help me to run a simple simulation on mixing of two oxides and finding the oxidation state of the oxides. Highly appreciated for your kind reply.
>
>
>
> --
>
>
>
>               With Regards
>
>       Dr. R. Rajaramakrishna
>
>       Post-Doctoral Fellow
>
> Centre of Excellence in Glass Science
>
>    & Materials Science (CEGM)
>
> Nakhon Pathom, Rajabhat University
>
> Malaiman Road, Muang Nakhon Pathom
>
>          Thailand 73000
>
>
>
> http://dept.npru.ac.th/cegm/index.php?act=6a992d5529f459a44fee58c733255e86&lntype=editor_top&stm_id=2940
>
>
>
>
>
> https://www.scopus.com/authid/detail.uri?authorId=49864195200
>
>
>
>
>
> https://orcid.org/0000-0001-6471-8941
>
>
>
>
>
>
>
>
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