Recently I have been preparing for an interview for a faculty position. As usual I watched a lot of videos, read some tutorials, chatted with GPT, and talked to people (to whom I am very grateful).
The most insightful video turned out to be by Wenhao Sun UM. See below. It is about having a solid research vision!
Besides I would highly recommend a youtube channel “Life in academia” of a very positive prof. Matthias Rillig.
P.S. Despite preparation, I have not anticipated even a single question.
Dani Bodor created a nice reference style that is suitable for writing an MSCA proposal:
marie-sklodowska-curie-actions.csl
See forums.zotero.org/discussion/73275/foot-notes-for-a-marie-curie-application.
This style is similar to what I used in my LaTeX template:
www.overleaf.com/latex/templates/msca-template/dskmdjpzbhkg
Here is the code for that style:
<?xml version="1.0" encoding="utf-8"?>
<style xmlns="http://purl.org/net/xbiblio/csl" class="note" version="1.0" demote-non-dropping-particle="never" page-range-format="chicago" default-locale="en-GB">
<!-- This style was edited with the Visual CSL Editor (http://editor.citationstyles.org/visualEditor/) -->
<info>
<title>Marie Skłodowska-Curie actions</title>
<id>http://www.zotero.org/styles/marie-sklodowska-curie-actions</id>
<link href="http://www.zotero.org/styles/marie-sklodowska-curie-actions" rel="self"/>
<link href="https://forums.zotero.org/discussion/comment/262041/#Comment_262041" rel="documentation"/>
<author>
<name>Dani Bodor</name>
<email>d.bodor@ucl.ac.uk</email>
</author>
<category citation-format="note"/>
<category field="generic-base"/>
<summary>For use in application to H2020 Marie Skłodowska-Curie Actions fellowship</summary>
<updated>2017-07-31T17:37:20+00:00</updated>
<rights license="http://creativecommons.org/licenses/by-sa/3.0/">This work is licensed under a Creative Commons Attribution-ShareAlike 3.0 License</rights>
</info>
<locale xml:lang="en">
<terms>
<term name="editor" form="verb-short">ed.</term>
<term name="translator" form="verb-short">trans.</term>
<term name="editortranslator" form="verb-short">
<single>ed. and trans.</single>
<multiple>ed. and trans.</multiple>
</term>
<term name="editortranslator" form="verb">
<single>Edited and translated by</single>
<multiple>Edited and translated by</multiple>
</term>
<term name="translator" form="short">trans.</term>
</terms>
</locale>
<macro name="secondary-contributors">
<choose>
<if type="chapter paper-conference" match="none">
<names variable="editor translator" delimiter=". ">
<label form="verb" text-case="capitalize-first" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</if>
</choose>
</macro>
<macro name="container-contributors">
<choose>
<if type="chapter paper-conference" match="any">
<group delimiter=", ">
<choose>
<if variable="author">
<choose>
<if variable="container-author" match="any">
<names variable="container-author">
<label form="verb-short" text-case="lowercase" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</if>
</choose>
<choose>
<if variable="container-author author" match="all">
<group delimiter=". ">
<text variable="page"/>
<names variable="editor translator" delimiter=", ">
<label form="verb" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</group>
</if>
<else>
<names variable="editor translator" delimiter=", ">
<label form="verb" text-case="lowercase" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</else>
</choose>
</if>
</choose>
</group>
</if>
</choose>
</macro>
<macro name="recipient-note">
<names variable="recipient" delimiter=", ">
<label form="verb" text-case="lowercase" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</macro>
<macro name="editor">
<names variable="editor">
<name name-as-sort-order="first" and="text" sort-separator=", " delimiter=", " delimiter-precedes-last="always"/>
<label form="short" prefix=", "/>
</names>
</macro>
<macro name="translator">
<names variable="translator">
<name name-as-sort-order="first" and="text" sort-separator=", " delimiter=", " delimiter-precedes-last="always"/>
<label form="verb-short" prefix=", "/>
</names>
</macro>
<macro name="recipient">
<group delimiter=" ">
<choose>
<if type="personal_communication">
<choose>
<if variable="genre">
<text variable="genre" text-case="capitalize-first"/>
</if>
<else>
<text term="letter" text-case="capitalize-first"/>
</else>
</choose>
</if>
</choose>
<text macro="recipient-note"/>
</group>
</macro>
<macro name="contributors">
<group delimiter=". ">
<names variable="author">
<name name-as-sort-order="first" and="text" sort-separator=", " delimiter=", " delimiter-precedes-last="always"/>
<substitute>
<text macro="editor"/>
<text macro="translator"/>
</substitute>
</names>
<text macro="recipient"/>
</group>
</macro>
<macro name="recipient-short">
<names variable="recipient">
<label form="verb" text-case="lowercase" suffix=" "/>
<name form="short" and="text" delimiter=", "/>
</names>
</macro>
<macro name="contributors-short">
<group delimiter=" ">
<names variable="author">
<name form="short" and="symbol"/>
<substitute>
<names variable="editor"/>
<names variable="translator"/>
</substitute>
</names>
<text macro="recipient-short"/>
</group>
</macro>
<macro name="interviewer">
<names variable="interviewer" delimiter=", ">
<label form="verb" text-case="capitalize-first" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</macro>
<macro name="title">
<choose>
<if variable="title" match="none">
<choose>
<if type="personal_communication" match="none">
<text variable="genre" text-case="capitalize-first"/>
</if>
</choose>
</if>
<else-if type="bill book graphic legislation motion_picture song" match="any">
<text variable="title" text-case="title" font-style="italic"/>
<group prefix=" (" suffix=")" delimiter=" ">
<text term="version"/>
<text variable="version"/>
</group>
</else-if>
<else-if variable="reviewed-author">
<group delimiter=", ">
<text variable="title" font-style="italic" prefix="Review of "/>
<names variable="reviewed-author">
<label form="verb-short" text-case="lowercase" suffix=" "/>
<name and="text" delimiter=", "/>
</names>
</group>
</else-if>
<else-if type="legal_case interview patent" match="any">
<text variable="title"/>
</else-if>
<else>
<text variable="title" text-case="title" quotes="true"/>
</else>
</choose>
</macro>
<macro name="description">
<group delimiter=", ">
<group delimiter=". ">
<text macro="interviewer"/>
<text variable="medium" text-case="capitalize-first"/>
</group>
<choose>
<if variable="title" match="none"/>
<else-if type="thesis speech" match="any"/>
<else-if type="patent">
<group delimiter=" ">
<text variable="authority"/>
<text variable="number"/>
</group>
</else-if>
<else>
<text variable="genre" text-case="capitalize-first"/>
</else>
</choose>
</group>
</macro>
<macro name="container-title">
<group delimiter=" ">
<choose>
<if type="chapter paper-conference" match="any">
<text term="in" text-case="capitalize-first"/>
</if>
</choose>
<choose>
<if type="legal_case" match="none">
<text variable="container-title" text-case="title" font-style="italic"/>
</if>
</choose>
</group>
</macro>
<macro name="collection-title">
<choose>
<if match="none" type="article-journal">
<choose>
<if match="none" is-numeric="collection-number">
<group delimiter=", ">
<text variable="collection-title" text-case="title"/>
<text variable="collection-number"/>
</group>
</if>
<else>
<group delimiter=" ">
<text variable="collection-title" text-case="title"/>
<text variable="collection-number"/>
</group>
</else>
</choose>
</if>
</choose>
</macro>
<macro name="collection-title-journal">
<choose>
<if type="article-journal">
<group delimiter=" ">
<text variable="collection-title"/>
<text variable="collection-number"/>
</group>
</if>
</choose>
</macro>
<macro name="edition-note">
<choose>
<if type="bill book chapter graphic legal_case legislation motion_picture paper-conference report song" match="any">
<choose>
<if is-numeric="edition">
<group delimiter=" ">
<number variable="edition" form="ordinal"/>
<text term="edition" form="short"/>
</group>
</if>
<else>
<text variable="edition"/>
</else>
</choose>
</if>
</choose>
</macro>
<macro name="edition">
<choose>
<if type="bill book chapter graphic legal_case legislation motion_picture paper-conference report song" match="any">
<choose>
<if is-numeric="edition">
<group delimiter=" ">
<number variable="edition" form="ordinal"/>
<text term="edition" form="short"/>
</group>
</if>
<else>
<text variable="edition" text-case="capitalize-first" suffix="."/>
</else>
</choose>
</if>
</choose>
</macro>
<macro name="locators-note">
<choose>
<if type="article-journal">
<group delimiter=", ">
<text macro="collection-title-journal"/>
<number variable="volume"/>
<group delimiter=" ">
<text term="issue" form="short"/>
<number variable="issue"/>
</group>
</group>
</if>
<else-if type="legal_case">
<group delimiter=", ">
<group delimiter=" ">
<number variable="volume"/>
<text variable="container-title"/>
<text variable="page"/>
</group>
<text variable="locator"/>
</group>
</else-if>
<else-if type="bill book chapter graphic legal_case legislation motion_picture paper-conference report song" match="any">
<group delimiter=", ">
<text macro="edition-note"/>
<group delimiter=" ">
<text term="volume" form="short"/>
<number variable="volume" form="numeric"/>
</group>
<choose>
<if variable="locator" match="none">
<group delimiter=" ">
<number variable="number-of-volumes" form="numeric"/>
<text term="volume" form="short" plural="true"/>
</group>
</if>
</choose>
</group>
</else-if>
</choose>
</macro>
<macro name="locators-join-with-space">
<choose>
<if type="article-journal" variable="volume" match="all">
<choose>
<if match="none" variable="collection-title">
<text macro="locators"/>
</if>
</choose>
</if>
</choose>
</macro>
<macro name="locators-join-with-comma">
<choose>
<if type="legal_case chapter paper-conference" match="any">
<text macro="locators"/>
</if>
<else-if type="article-journal">
<choose>
<if variable="volume" match="none">
<text macro="locators"/>
</if>
<else-if match="any" variable="collection-title">
<text macro="locators"/>
</else-if>
</choose>
</else-if>
</choose>
</macro>
<macro name="locators-join-with-period">
<choose>
<if type="legal_case article-journal chapter paper-conference" match="none">
<text macro="locators"/>
</if>
</choose>
</macro>
<macro name="locators">
<choose>
<if type="article-journal">
<group delimiter=", ">
<text macro="collection-title-journal"/>
<number variable="volume"/>
<group delimiter=" ">
<text term="issue" form="short"/>
<number variable="issue"/>
</group>
</group>
</if>
<else-if type="legal_case">
<group delimiter=" ">
<number variable="volume"/>
<text variable="container-title"/>
<text variable="page"/>
</group>
</else-if>
<else-if type="bill book graphic legal_case legislation motion_picture report song" match="any">
<group delimiter=". ">
<text macro="edition"/>
<group delimiter=" ">
<text term="volume" form="short" text-case="capitalize-first"/>
<number variable="volume" form="numeric"/>
</group>
<group delimiter=" ">
<number variable="number-of-volumes" form="numeric"/>
<text term="volume" form="short" plural="true"/>
</group>
</group>
</else-if>
<else-if type="chapter paper-conference" match="any">
<group delimiter=". ">
<text macro="edition"/>
<choose>
<if variable="page" match="none">
<group delimiter=" ">
<text term="volume" form="short" text-case="capitalize-first"/>
<number variable="volume" form="numeric"/>
</group>
</if>
</choose>
</group>
</else-if>
</choose>
</macro>
<macro name="locators-newspaper">
<choose>
<if type="article-newspaper">
<group delimiter=", ">
<group delimiter=" ">
<number variable="edition"/>
<text term="edition"/>
</group>
<group delimiter=" ">
<text term="section" form="short"/>
<text variable="section"/>
</group>
</group>
</if>
</choose>
</macro>
<macro name="event">
<choose>
<if variable="title">
<group delimiter=" ">
<text term="presented at"/>
<text variable="event"/>
</group>
</if>
<else>
<group delimiter=" ">
<text term="presented at" text-case="capitalize-first"/>
<text variable="event"/>
</group>
</else>
</choose>
</macro>
<macro name="originally-published">
<group delimiter=", ">
<group delimiter=": ">
<text variable="original-publisher-place"/>
<text variable="original-publisher"/>
</group>
<date variable="original-date" form="text" date-parts="year"/>
</group>
</macro>
<macro name="reprint">
<choose>
<if variable="original-date issued" match="all">
<text value="reprint" text-case="capitalize-first"/>
</if>
</choose>
</macro>
<macro name="publisher">
<choose>
<if type="thesis">
<text variable="publisher"/>
</if>
<else-if type="speech">
<text variable="event-place"/>
</else-if>
<else>
<group delimiter=": ">
<text variable="publisher-place"/>
<text variable="publisher"/>
</group>
</else>
</choose>
</macro>
<macro name="issued">
<choose>
<if variable="issued">
<choose>
<if type="graphic report" match="any">
<date variable="issued" form="text"/>
</if>
<else-if type="legal_case">
<group delimiter=" ">
<text variable="authority"/>
<date variable="issued">
<date-part name="year"/>
</date>
</group>
</else-if>
<else-if type="bill book chapter graphic legal_case legislation motion_picture paper-conference report song thesis" match="any">
<date variable="issued">
<date-part name="year"/>
</date>
</else-if>
<else-if type="patent">
<group delimiter=", ">
<group delimiter=" ">
<text value="filed"/>
<date variable="submitted" form="text"/>
</group>
<group delimiter=" ">
<choose>
<if variable="issued submitted" match="all">
<text term="and"/>
</if>
</choose>
<text value="issued"/>
<date variable="issued" form="text"/>
</group>
</group>
</else-if>
<else>
<date variable="issued" form="text"/>
</else>
</choose>
</if>
<else-if variable="status">
<text variable="status"/>
</else-if>
<else-if variable="accessed URL" match="all"/>
<else>
<text term="no date" form="short"/>
</else>
</choose>
</macro>
<macro name="point-locators-subsequent">
<choose>
<if type="legal_case"/>
<else-if variable="locator">
<choose>
<if locator="page" match="none">
<group delimiter=" ">
<choose>
<if type="bill book graphic legislation motion_picture report song" match="any">
<choose>
<if variable="volume">
<group delimiter=", ">
<group delimiter=" ">
<text term="volume" form="short"/>
<number variable="volume" form="numeric"/>
</group>
<label variable="locator" form="short"/>
</group>
</if>
<else>
<label variable="locator" form="short"/>
</else>
</choose>
</if>
<else>
<label variable="locator" form="short"/>
</else>
</choose>
<text variable="locator"/>
</group>
</if>
<else-if type="bill book graphic legislation motion_picture report song" match="any">
<group delimiter=":">
<number variable="volume" form="numeric"/>
<text variable="locator"/>
</group>
</else-if>
<else>
<text variable="locator"/>
</else>
</choose>
</else-if>
</choose>
</macro>
<macro name="locators-chapter">
<choose>
<if type="chapter paper-conference" match="any">
<choose>
<if variable="author container-author" match="all"/>
<else>
<choose>
<if variable="page">
<number variable="volume" suffix=":"/>
<text variable="page"/>
</if>
</choose>
</else>
</choose>
</if>
</choose>
</macro>
<macro name="locators-journal-join-with-colon">
<choose>
<if type="article-journal">
<choose>
<if variable="volume issue" match="any">
<text variable="page"/>
</if>
</choose>
</if>
</choose>
</macro>
<macro name="locators-journal-join-with-comma">
<choose>
<if type="article-journal">
<choose>
<if variable="volume issue" match="none">
<text variable="page"/>
</if>
</choose>
</if>
</choose>
</macro>
<macro name="archive">
<choose>
<if type="thesis">
<group delimiter=" ">
<text variable="archive"/>
<text variable="archive_location" prefix="(" suffix=")"/>
</group>
</if>
<else>
<group delimiter=". ">
<text variable="archive_location" text-case="capitalize-first"/>
<text variable="archive"/>
<text variable="archive-place"/>
</group>
</else>
</choose>
</macro>
<macro name="issue-join-with-space">
<choose>
<if type="article-journal legal_case" match="any">
<choose>
<if variable="issue volume" match="any">
<text macro="issue"/>
</if>
</choose>
</if>
</choose>
</macro>
<macro name="issue-join-with-period">
<choose>
<if type="article-journal legal_case" match="none">
<choose>
<if type="speech" variable="publisher publisher-place" match="any">
<text macro="issue"/>
</if>
</choose>
</if>
</choose>
</macro>
<macro name="issue-join-with-comma">
<choose>
<if type="article-journal legal_case" match="none">
<choose>
<if type="speech" variable="publisher publisher-place" match="none">
<text macro="issue"/>
</if>
</choose>
</if>
<else-if variable="volume issue" match="none">
<text macro="issue"/>
</else-if>
</choose>
</macro>
<macro name="issue">
<choose>
<if type="legal_case" match="any">
<text macro="issued" prefix="(" suffix=")"/>
</if>
<else-if type="article-journal">
<choose>
<if variable="issue volume" match="any">
<text macro="issued" prefix="(" suffix=")"/>
</if>
<else>
<text macro="issued"/>
</else>
</choose>
</else-if>
<else-if type="speech">
<group delimiter=", ">
<group delimiter=" ">
<choose>
<if variable="title" match="none"/>
<else>
<text variable="genre" text-case="capitalize-first"/>
</else>
</choose>
<text macro="event"/>
</group>
<text variable="event-place"/>
<text macro="issued"/>
</group>
</else-if>
<else-if type="article-newspaper">
<text macro="issued"/>
</else-if>
<else-if variable="publisher-place publisher" match="any">
<group delimiter=", ">
<choose>
<if type="thesis">
<text variable="genre" text-case="capitalize-first"/>
</if>
</choose>
<group delimiter=". ">
<text macro="originally-published"/>
<group delimiter=", ">
<text macro="reprint"/>
<text macro="publisher"/>
</group>
</group>
<text macro="issued"/>
</group>
</else-if>
<else>
<text macro="issued"/>
</else>
</choose>
</macro>
<macro name="access">
<group delimiter=". ">
<choose>
<if type="graphic report" match="any">
<text macro="archive"/>
</if>
<else-if type="article-journal bill book chapter legal_case legislation motion_picture paper-conference" match="none">
<text macro="archive"/>
</else-if>
</choose>
<choose>
<if variable="issued" match="none">
<group delimiter=" ">
<text term="accessed" text-case="capitalize-first"/>
<date variable="accessed" form="text"/>
</group>
</if>
</choose>
<choose>
<if type="legal_case" match="none">
<choose>
<if variable="DOI">
<text variable="DOI" prefix="doi:"/>
</if>
<else>
<text variable="URL"/>
</else>
</choose>
</if>
</choose>
</group>
</macro>
<macro name="case-locator-subsequent">
<choose>
<if type="legal_case">
<text macro="locators-note"/>
</if>
</choose>
</macro>
<macro name="case-issue-subsequent">
<choose>
<if type="legal_case">
<text macro="issue"/>
</if>
</choose>
</macro>
<citation et-al-min="4" et-al-use-first="1" disambiguate-add-names="true">
<layout suffix="." delimiter="; ">
<choose>
<if match="all" position="subsequent">
<text variable="first-reference-note-number" prefix="see ref: "/>
</if>
<else-if type="webpage post-weblog" match="any">
<group delimiter=" ">
<text variable="title" suffix=": "/>
<text variable="URL"/>
</group>
</else-if>
<else>
<group delimiter=", ">
<text macro="contributors-short" strip-periods="true"/>
<text variable="title" font-style="italic" />
<group delimiter=" ">
<group delimiter=", ">
<date date-parts="year" form="numeric" variable="issued"/>
<text macro="case-locator-subsequent"/>
<choose>
<if type="chapter" match="any">
<group>
<text variable="title" form="short"/>
<text value="in: " prefix=", "/>
<text variable="container-title" form="short" font-style="italic" suffix=", "/>
<text variable="publisher" prefix="(" suffix=")"/>
<text variable="page" form="short" prefix=": "/>
</group>
</if>
<else>
<group delimiter=" ">
<text variable="container-title" form="short" strip-periods="true" font-style="italic"/>
<text variable="volume" strip-periods="true" font-weight="bold" suffix=":"/>
<text variable="page" form="short" strip-periods="false"/>
</group>
</else>
</choose>
</group>
<text macro="case-issue-subsequent"/>
</group>
<text macro="point-locators-subsequent"/>
</group>
</else>
</choose>
</layout>
</citation>
<bibliography hanging-indent="true" et-al-min="11" et-al-use-first="7" subsequent-author-substitute="———" entry-spacing="0">
<sort>
<key variable="call-number"/>
</sort>
<layout suffix=".">
<group delimiter=". ">
<group delimiter=": ">
<group delimiter=", ">
<group delimiter=" ">
<group delimiter=". ">
<group delimiter=" ">
<group delimiter=", ">
<group delimiter=". ">
<group delimiter=". ">
<text macro="contributors"/>
<text macro="title"/>
</group>
<text macro="description"/>
<text macro="secondary-contributors"/>
<group delimiter=", ">
<text macro="container-title"/>
<text macro="container-contributors"/>
</group>
<text macro="locators-join-with-period"/>
</group>
<text macro="locators-join-with-comma"/>
<text macro="locators-chapter"/>
</group>
<text macro="locators-join-with-space"/>
</group>
<text macro="collection-title"/>
<text macro="issue-join-with-period"/>
</group>
<text macro="issue-join-with-space"/>
</group>
<text macro="issue-join-with-comma"/>
<text macro="locators-journal-join-with-comma"/>
<text macro="locators-newspaper"/>
</group>
<text macro="locators-journal-join-with-colon"/>
</group>
<text macro="access"/>
</group>
</layout>
</bibliography>
</style>For a long time I wanted to see ASE atoms in my Jupyter notebook. My previous attempts were usually unsuccessful. Today I decided to try again. First ASE wiki suggests x3d and webngl:
view(atoms, viewer='x3d')
view(atoms, viewer='ngl')Łucasz Mentel gives some useful tips in his blogpost from 2017.
In my case x3d works and webngl fails. The x3d picture is not enought, and I do not want to spend much time on fixing webngl.
ASE-notebook is what works for me.
conda create -n "jupyter"
conda activate jupyter
conda install -c conda-forge ase-notebook
conda install -c conda-forge jupyterlab
By the way, the model is from my “Surface Curvature Effect on Dual-Atom Site Oxygen Electrocatalysis” paper, which you can read at chemRxiv until it turns Gold Open Access.
My friend Olga Jasnovidova has recently finished her PhD studies in Brno in Czech republic. In her acknowledgement speech she concluded the 7 years-long work and gave a message for young ones. Here it is.
“””
“Science is one of the most creative fields to work in”
Through my PhD studies I have learned that science has two dimensions: one scientific, and one human… and that, of the two, the human dimension is the more difficult to grasp.
I understood that, in order to achieve your goals, you must not only care about your work or yourself. You have got to care about the people around you: senior and junior students, technicians, facility managers, senior colleagues, your supervisors. As you step into PhD studies, you should not expect them to support and motivate you, but rather you yourself should start by supporting and motivating them.
I have also learned that one of the most effective ways to grow and develop is to ask for feedback, then learn to accept it and moreover learn to give constructive feedback yourself. This process can be painful for our egos, but it is the only way to grow.
Most importantly, I have learned that there are always several ways to achieve the same goal. There is no one correct way to reach one’s target. Therefore, you should always stay open to new ways to achieve your goals.
Based on my experience, I would like to say to younger students that they should not fear anything new or unfamiliar. Please don’t create any mental barriers for yourselves. Academic research seems like a very conventional and strict field after Bachelor’s or Master’s studies or peer review, but it is not so. Science is one of the most creative fields to work in, providing endless opportunities to grow and discover. Just learn the rules and then use them to create. You can do something truly unique for the first time in human history, something that will lay a path for many to follow. Believe in your own abilities. Every single day you have an opportunity to do something amazing — don’t waste it.
“””
P.S. Olga, congratulations!
P.P.S. Meanwhile Samual Coles defended his PhD thesis in Oxford. Grande Sam! Sam, congratulations!
FFTW:
./configure –enable-float –enable-shared –enable-sse2
make -j N
make install
===
Gromacs:
$ tar xvfz gromacs-x.y.z.tar.gz
$ ls
gromacs-x.y.z
$ mkdir build
$ cd build
$ cmake ../gromacs-x.y.z -DCMAKE_INSTALL_PREFIX=/home/yourUser/opt/gromacs.x.y.z -DGMX_CPU_ACCELERATION=SSE2 -DGMX_SIMD=SSE2
$ make -j N
$ make install
===
LAMMPS:
$ git clone git://git.lammps.org/lammps-ro.git LAMMPS
$ make yes-molecule
$ make mpi
===
To the .bashrc add:
#Gromacs
source /home/yourUser/opt/gromacs.x.y.z/bin/GMXRC
#or source /your/installation/prefix/here/bin/GMXRC
#LAMMPS
export LD_LIBRARY_PATH=~/LAMMPS/src:$LD_LIBRARY_PATH
export PATH=~/LAMMPS/src:$PATH
