Cymorth meddalwedd
Mae nifer o raglenni masnachol a ffynhonnell agored ar gael ar ein systemau, a gellir gosod meddalwedd newydd dan arweiniad ein harbenigwyr.
Rydym yn rhoi cefnogaeth er mwyn helpu ymchwilwyr i osod y feddalwedd ofynnol ar ein systemau. Gellir gwneud hyn yn ganolog, gan alluogi pobl eraill i gael budd o'r un feddalwedd, neu yng ngofod personol yr ymchwilydd.
Mae ein systemau wedi galluogi ymchwilwyr i gael gafael ar lawer o becynnau meddalwedd a'u rhedeg, ac ni fyddai wedi bod yn bosibl iddynt wneud hynny fel arall.
Opsiynau meddalwedd
Meddalwedd fasnachol
Rhaid gwirio trwyddedau meddalwedd er mwyn gweld beth yw'r ffordd orau o'i gosod ar ein systemau a rennir. Os oes angen, gellir rhoi mynediad i ddefnyddwyr penodol yn unig, a gellir nodi hyn ar rai trwyddedau. Fel arfer gellir defnyddio rheolwyr trwyddedau i fonitro'r defnydd. Cysylltwch â ni cyn prynu meddalwedd.
Meddalwedd ffynhonnell agored
Mae'n hawdd gosod meddalwedd ffynhonnell agored ar systemau ARCCA a gall ein gwybodaeth arbenigol fanteisio'n llawn ar ei pherfformiad drwy osodiadau canolog. Rydym yn eich annog i rannu meddalwedd ar draws cymunedau felly rydym yn argymell eich bod yn cysylltu â ni er mwyn ein galluogi i'ch helpu i redeg y feddalwedd mewn ffordd ganolog, lle y bo'n bosibl.
Adnoddau llif gwaith
Mae adnoddau llif gwaith a phyrth gwe yn dod yn ddull cyffredin i gael gafael ar wasanaethau arbenigol.
Mae Galaxy yn llwyfan ar y we sy'n ffynhonnell agored ar gyfer ymchwil fiofeddygol sy’n cynnwys llawer o ddata. Boed ar y gweinydd cyhoeddus neu drwy eich ymdrechion eich hun, gallwch berfformio, atgynhyrchu a rhannu dadansoddiadau wedi'u cwblhau.
Mae'r Ysgol Cemeg yn defnyddio Webmo i wella hygyrchedd a defnyddioldeb meddalwedd cyfrifiadurol cemeg, fel y gall defnyddwyr gael mynediad at eu meddalwedd a'i defnyddio o'u porwr gwe.
Seilwaith gwasgaredig yw Gridchem ar gyfer ymchwil wyddonol agored sy'n darparu casgliad o adnoddau mewn grid i gynnal rhaglenni ffiseg gemegol yn rheolaidd. Ei nod yw integreiddio'r amgylchedd ar gyfrifiadur desg i greu seilwaith ar gyfer cymuned penodol o ddefnyddwyr.
Ar ôl dechrau fel trefnwr ar gyfer modelau rhagweld y tywydd ar gyfer y Swyddfa Dywydd, mae Rose (y prosesydd cyfres a arweinir gan y Swyddfa Dywydd) a Cylc (trefnwr ciwiau yn seiliedig ar ddibyniaeth) wedi datblygu i fod yn rheolwyr llif gwaith at ddibenion cyffredinol ar gyfer amrywiaeth eang o swyddogaethau. Drwy ymgorffori gwaith cylchredu yn seiliedig ar amser, trefnu tasgau mewn ffordd ddeallus, a chyfochredd dynamig, mae Rose/Cylc hefyd yn ein galluogi i greu pennau blaen soffistigedig yn seiliedig ar GUI er mwyn hwyluso'r broses o'i defnyddio ymhellach.
Gosod meddalweddau newydd
| Compiler | Description |
|---|---|
| Intel | Popular compiler suite (C, C++, Fortran) including OpenMP support and with the benefit of optimisations on Intel-based systems. Multiple versions installed. |
| GNU compilers | Widely available compiler suite(C, C++, Fortran) including OpenMP support and benefits from being open-source and therefore widely tested and used by software developers. Multiple versions installed. |
| Library | Description |
|---|---|
| FFTW | Fourier transforms are used in many applications and FFTW is one of the best open-source implementations. Multiple versions installed. |
| MPI | MPI is the de-facto standard to parallelise code across a network. Mutliple versions installed (Intel and OpenMPI variants). |
| GSL | GNU Scientific Library is an open-source library of popular scientific and mathematical functions (e.g. minimisation methods, root finding, curve fitting). Multiple versions installed. |
| HDF5 | A method of storing and managing data in a standardised fashion. Has many uses and is flexible enough to fit most requirements. Multiple versions installed. |
| netCDF | A method to store gridded data formats such as weather and climate data. Multiple versions installed. |
| SQLite | A method of accessing data via SQL without the need of an SQL server. |
| Application | Description |
|---|---|
| Intel Trace Analyser | Provides information to help understand and optimise application performance by quickly locating performance bottlenecks with MPI communication. |
| ipm | IPM is a portable profiling infrastructure for parallel codes. It provides a low-overhead performance profile of the performance aspects and resource utilization in a parallel program. |
| tau | TAU is a program and performance analysis tool framework being developed for the DOE Office of Science, ASC initiatives at LLNL, the ZeptoOS project at ANL, and the Los Alamos National Laboratory. |
| Application | Description |
|---|---|
| COMSOL | A multi-physics package to solve a variety of scientific problems. Latest versions currently funded by research groups in School of Engineering. |
| Abaqus | A suite of software currently provided to solve dynamical events using the explicit package. Provided by the School of Engineering. |
| Matlab | An industry-standard programming language with associated extra tools to help solve problems. Available for all users. |
| SPSS | A popular statistics package. Available for all users. |
| Application | Description |
|---|---|
| Blast | NCBI Blast - finds regions of similarity between biological sequences. |
| Molpro | Molpro is a complete system of ab-initioprograms for molecular electronic structure calculations. |
| siesta | siesta performs electronic structure calculations and ab-initio molecular dynamic simulations |
| gromacs | Gromacs is a versatile package to perform molecular dynamics. |
| nwchem | NWChem provides a quantum mechanical description of the electronic wavefunction / density. |
| VASP | VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. |
| wrf | The Weather Research & Forecasting Model. |
| Bowtie2 | Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters to relatively long (e.g. mammalian) genomes, and contains a number of enhancements compared to its predecessor, bowtie. |
| PLINK | PLINK is a free, open-source whole genome association analysis toolset, designed to perform a range of basic, large-scale analyses in a computationally efficient manner. The focus of PLINK is purely on analysis of genotype/phenotype data, so there is no support for steps prior to this (e.g. study design and planning, generating genotype or CNV calls from raw data). Through integration with gPLINK and Haploview, there is some support for the subsequent visualization, annotation and storage of results. |
Cysylltwch â ni
I gael rhagor o wybodaeth, cysylltwch â’r tîm: