Inductiva

Latest version: v0.15.5

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2022.2

|`gromacs = inductiva.simulators.GROMACS(version="2024.2")` | `ValueError: Version 2024.2 is not available for simulator gromacs. Available versions are: ['2022.2'].` <br> (Simulator version is not available)|
|`gromacs = inductiva.simulators.GROMACS(version="2022.2", use_dev=True)` | `Using development image of GROMACS version 2022.2` <br> (Running a specific version in dev)|
|`gromacs = inductiva.simulators.GROMACS(version="2024.2", use_dev=True)` | `ValueError: Version 2024.2 is not available for simulator gromacs. Available versions are: ['2022.2'].` <br> (Simulator version is not available in dev)|
|`gromacs = inductiva.simulators.GROMACS(version=2024.2)` | `ValueError: Version 2022.2 is not available for simulator gromacs. Available versions are: ['2022.2'].` <br> (Simulator version cannot be float)|
|`gromacs = inductiva.simulators.GROMACS(use_dev=1)` | `Using development image of GROMACS version 2022.2` <br> (Python treats 1 as True)|
|`gromacs = inductiva.simulators.GROMACS(use_dev="Hello")` | `Using development image of GROMACS version 2022.2` <br> (Python treats strings as True)|

[1010](https://github.com/inductiva/inductiva-web-api/issues/1010)
Validate that min_vms and max_vms parameters are positive for [elastic machine groups](https://docs.inductiva.ai/en/latest/how_to/set-up-elastic-machine-group.html), preventing human error (e.g. inputting a negative value) which caused the instruction to fail.

[973](https://github.com/inductiva/inductiva-web-api/issues/973), [#868](https://github.com/inductiva/inductiva-web-api/issues/868)
Explicitly close database sessions after it’s not needed anymore to save resources, and to prevent blocking all available DB sessions.

[947](https://github.com/inductiva/inductiva-web-api/issues/947)
When a machine group is terminated after a timeout by the [computational resources janitor](https://docs.inductiva.ai/en/latest/api_reference/computational_resources/compute_janitor.html), the task status is updated to `executer-terminated-ttl-exceeded` instead of `executer-terminated-by-user`, providing more clarity over what caused the machine group to be terminated.

[965](https://github.com/inductiva/inductiva-web-api/issues/965), [#181](https://github.com/inductiva/tasks/issues/181)
When a machine fails while executing [multiple tasks](https://docs.inductiva.ai/en/latest/how_to/run-parallel_simulations.html), the ´executer-failed´ error is only associated with the task that was being run at the time of the failure, and not to any previous task that had run successfully.
In this situation, the following steps could help the user learn more about what happened:
1. `inductiva tasks list` to list all tasks and check out which has a failure status;
2. `inductiva tasks info <task_id>` to inspect the status detail, which leads to the failure reason.

[144](https://github.com/inductiva/tasks/issues/144)
Resolved a bug that was preventing users with Windows OS from terminating their resources or killing their tasks from the CLI.

[951](https://github.com/inductiva/inductiva-web-api/issues/951)
Users can access all docker images available in [Kutu](https://github.com/inductiva/kutu) [dockerhub repository](https://hub.docker.com/r/inductiva/kutu/tags), so that the user takes advantage of these resources.

[71](https://github.com/inductiva/tasks/issues/71)
Ability to download the files that are associated to a specific [project](https://tutorials.inductiva.ai/intro_to_api/projects.html):
- `inductiva projects download project-name` Download all files from every task in a project;
- `inductiva projects download project-name --output-dir downloads` Download all files from every task in a project to downloads directory;
- `inductiva projects download project-name --files file1.txt` Download ‘file1.txt’ from every task in a project;
- `inductiva projects download project-name --std` Download stdout.txt and stderr.txt from every task in a project.

0.15

Pull Requests
* Add coawst simulator by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1926
* Update GX.md by eunmoliveira in https://github.com/inductiva/inductiva/pull/1936
* Merge GX tutorial fix to main by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1937
* Terminates resource on wait method by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1941
* Add cp2k tutorial by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1935
* Remove organization from users info for individual users by luispcunha in https://github.com/inductiva/inductiva/pull/1944
* Implement download in storage API by HenriquePreto in https://github.com/inductiva/inductiva/pull/1946
* Fix print quotas for local machine groups by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1949
* Add `zone`, `cpu_info` and `gpu_info` to Machine Groups by catarinalegria in https://github.com/inductiva/inductiva/pull/1928
* Improve selection of docker image by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1940
* Create coawst example by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1953
* Improve validation of data_disk_gb by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1954
* Rename tier -> plan by luispcunha in https://github.com/inductiva/inductiva/pull/1952
* Update docs: remove tiers and update quotas by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1947
* Update docs: max_idle_time and auto_terminate_ts by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1938
* Improve storage.download operation by HenriquePreto in https://github.com/inductiva/inductiva/pull/1956
* Update CP2K.md by eunmoliveira in https://github.com/inductiva/inductiva/pull/1951
* Improve the project str method by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1906
* Update OpenFAST.md by eunmoliveira in https://github.com/inductiva/inductiva/pull/1948
* Improve project download by Pbarbosa92 in https://github.com/inductiva/inductiva/pull/1911
* Update version to v0.15.0 by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1959
* Deploy to prod v0.15.0 by bgregoinductiva in https://github.com/inductiva/inductiva/pull/1960


**Full Changelog**: https://github.com/inductiva/inductiva/compare/v0.14.4...v0.15.0

0.15.0

New Simulators
Two new open-source simulators are now ready to use via the Inductiva API:

[COAWST](https://inductiva.ai/simulators/coawst)
A modeling system that couples atmospheric, oceanic, wave, and sediment transport simulators.

[OpenSees (Tcl and Py)](https://inductiva.ai/simulators/opensees)
The first integrated earth engineering simulator.

Each simulator docker image is made available in[ Kutu](https://inductiva.ai/kutu), Inductiva’s free repository of docker images for simulation software.

The full list of integrated simulators is available on the[ website](https://inductiva.ai/simulators) or through the Python method
`inductiva simulators list`.

Decreased default MachineGroup max idle time

The new default is 3 mins (instead of 30 mins), which means that if users forget to explicitly call `terminate()` on their active machine group, there will be less waste of computational resources, as the platform will automatically terminate the machines just after 3 mins of inactivity.

Storage operations

- New command allows the user to download any file or folder to a local directory, optionally uncompressing the files (if zipped):

`inductiva storage download <file or folder> [<local directory>] [--uncompress]`


- Task Outputs no longer include inputs – this means that the size of the output.zip files should be smaller, as they no longer contain redudant files that were already present in the input.zip file.

- New storage operations in the Python Client:

`get_signed_urls`, `download`, `get_zip_contents`

Improved simulator image selection

We now select the image for the simulator based on the machine the user is using for that simulation. If the user picks a machine with Gpu’s we will pick the simulator image compiled for Gpu’s. If the user picks a machine with Gpu’s and the simulator does not have a compilation for Gpu we will print an error letting the user know.

What else is new?

0.14.0

**Real-time monitoring of output files**

Users can now see the contents of the output files generated by the simulators in *real-time*, during task execution. Previously this was possible for the stdout and stderr streams, but users had to wait until the task was completed to access the remaining files. From now onwards, it is possible to invoke a CLI command, and list the contents of the output directory:


inductiva tasks list-files <task-id>


as well as “tail” any non-binary file, to see the last lines being added in real-time:


inductiva tasks tail <task_id> <filepath> -f


More details in our documentation about [accessing output files](https://docs.inductiva.ai/en/latest/cli/access_simulation_output.html).

**Exporting Files to AWS S3 buckets**

Every output file generated during the simulation is copied to a cloud storage bucket managed by Inductiva (currently hosted on Google Cloud platform). However, some users would like to have this data copied over to AWS S3 buckets, because they might have their own post-processing code running on their AWS accounts. Copying files to a user’s AWS bucket is now possible from the inductiva CLI.

shell
inductiva storage export <task_id>/output.zip --bucket-name my-s3-bucket --export-to aws-s3
`
Note that the user will first need to authenticate with hers/his AWS credentials, via “aws configure”. More details in our documentation about [exporting files to AWS](https://tutorials.inductiva.ai/how_to/export-files-aws.html).

**Launching GPU-powered machines on GCP**

Some simulators in our platform (such as GROMACS, or GX) have support for GPUS, and now you can benefit from that extra processing power by launching Machine Groups with GPU-powered machines on Google Cloud Platform (currently on zone: europe-west1-b). All you need to do is:

python
gpu_cloud_machine = inductiva.resources.MachineGroup( \
provider="GCP",
machine_type="g2-standard-4")


See a complete example on our [tutorial for GX on GPUs](https://tutorials.inductiva.ai/simulators/GX.html).

**New Simulators available**

Three new open-source simulators are now ready to use via Inductiva’s API:

- [SNL-SWAN](https://inductiva.ai/simulators/snl-swan) - the addition of these simulators expands the range of models available for coastal dynamics simulations;

- [CPK2](https://www.cp2k.org/) - now available for molecular dynamics simulations, alongside [GROMACS](https://inductiva.ai/simulators/gromacs);

- [GX](https://inductiva.ai/simulators/gx) - the first simulator added for fusion energy systems simulations.

Each simulator docker image is made available in [Kutu](https://inductiva.ai/kutu), Inductiva’s free repository of docker images for simulation software.

The complete list of integrated simulators is available on the [website](https://inductiva.ai/simulators) or through the Python method inductiva simulators list.


**Optimization of the run() method**

The start() method of the machine group is now automatically triggered by the run() method, streamlining the base code for simulation execution, as follows:

python
machine_group = inductiva.resources.MachineGroup("c3d-standard-180")
openfoam = inductiva.simulators.OpenFOAM(distribution="esi")
task = openfoam.run(input_dir="/path/to/my/openfoam/files",
shell_script="./Allrun",
on=machine_group)

0.13.0

List of changes in the v0.13 release

Table of contents
- [Release's Highlight: Inductiva's API on local machines](task-runner)
- [Major upgrade in Console’s MachineGroups](consolemg)
- [Better navigation for full overview](consolemg_overview)
- [Active resources](consolemg_active)
- [Detail](consolemg_detail)
- [Terminated](consolemg_terminated)
- [Costs visibility and management](costsmgmt)
- [User’s costs breakdown](costsmgmt_userbreakdown)
- [Real-time credit management](costsmgmt_realtimecredit)
- [More Simulation options](moresimulators)
- [New OpenFOAM versions](moresimulators_openfoam)
- [Improved usability of DualSPHysics](moresimulators_dualsphysics)
- [Task’s life cycle in the python client](moresimulators_commands)

Release's Highlight: Inductiva's API on local machines <a name="task-runner"></a>
Users can now fully leverage Inductiva's API features on their local machines. With the local task-runner, simulations can be run directly on the user’s computer or any other available compute resource, making it an ideal option for testing and minimizing costs - there are no computation costs associated with local machines or any tasks executed on them, since no cloud resource is allocated. The simulation’s input and output files are still safely stored in the user’s cloud bucket while needed.
The web [Console](https://console.inductiva.ai/) and the [CLI](https://docs.inductiva.ai/en/latest/cli/cli-overview.html) commands continue to provide visibility over the computation resources being used, clearly distinguishing their cloud or local hosting, as well as where the tasks are run.

Follow the [tutorial ](https://tutorials.inductiva.ai/how_to/use-local-task-runner.html)to learn how to configure, launch, and run simulations locally.

Major upgrade in Console’s MachineGroups <a name="consolemg"></a>
The MachineGroups area in the user’s [Console](https://console.inductiva.ai/machine-groups/active) is significantly enhanced with a range of powerful new features in a key area. Explore the improved functionality designed to improve visibility and management of the [computational resources](https://docs.inductiva.ai/en/latest/intro_to_api/shared_dedicated_resources.html#resource-allocation-options) with a user-friendly interface.

Better navigation for full overview <a name="consolemg_overview"></a>
A new layout ensures effortless navigation and better visibility into the user’s resources by providing clear and organized access to three distinct sub-areas:
- [Active](https://console.inductiva.ai/machine-groups/active), displaying currently running MachineGroups;
- [Terminated](https://console.inductiva.ai/machine-groups/terminated), listing previous instances;
- [Instance Types](https://console.inductiva.ai/machine-groups/instance-types), showcasing the [available computational resources](https://github.com/inductiva/inductiva/releases#listmachines).

Active resources <a name="consolemg_active"></a>
The [Active MachineGroups](https://console.inductiva.ai/machine-groups/active) screen was restructured to provide the most significant data to provide a complete and detailed overview of the currently active machine groups, especially their duration and estimated cost, providing users with an immediate understanding of their ongoing expenses and enabling more efficient management of their active resources.

To empower the user with deeper understanding of the resources [attributes](https://docs.inductiva.ai/en/latest/api_reference/computational_resources/machinegroup_class.html#), tooltips with brief explanations can be found in the column titles, offering quick insights and clarity about the displayed data.

Detail <a name="consolemg_detail"></a>
By clicking on an Active MachineGroup, the user accesses its detail, namely its [parameters](https://docs.inductiva.ai/en/latest/api_reference/computational_resources/machinegroup_class.html#machinegroup-class) and detailed information about each of the machines in that MachineGroup.

There’s also a quick access button to terminate the MachineGroup, so that the user is able to take this immediate action based on the information on screen.

Terminated <a name="consolemg_terminated"></a>
This new screen provides all the key details about MachineGroups that are no longer active, ensuring a clear understanding of past activity:
- Timeframe of activity - Duration, Compute time (running tasks) and Idle time - and reason for termination (user request or automatic termination due to inactivity)
- Cost - initially calculated by Inductiva to provide near-real-time estimation; and confirmed by the cloud provider shortly after.

Costs visibility and management <a name="costsmgmt"></a>
User’s costs breakdown <a name="costsmgmt_userbreakdown"></a>
In the newly added Cost Breakdown screen within the [Account](https://console.inductiva.ai/account) section of the Console, users can review their past spendings, with a breakdown of monthly Compute and Storage costs.

The option to use Inductiva’s API on local machines (see this release's highlight) enables cost savings, since there are no computation costs associated with local machines or the tasks executed on them.
The simulation input and output files are still safely stored in the user’s cloud bucket while needed, so there are storage costs resulting from simulations run on local machines.

Real-time credit management <a name="costsmgmt_realtimecredit"></a>
The update to near real-time credit tracking ensures greater accuracy and control over your usage. This improvement means that tasks and machine groups will now automatically stop if the user’s credits are depleted, helping to avoid accumulating significant negative balances. Previously, credit validation only occurred when starting a new machine group, but with more frequent checks, resources can be managed more efficiently and stay within the allocated budget.

The user’s current credits, tier and quotas are always accessible in [Account](https://console.inductiva.ai/account) or by invoking inductiva user info.

More Simulation options <a name="moresimulators"></a>
New OpenFOAM versions <a name="moresimulators_openfoam"></a>
The latest version of [OpenFOAM ESI](https://inductiva.ai/simulators/openfoam-esi) (v2412) and [OpenFOAM Foundation](https://inductiva.ai/simulators/openfoam-foundation) (v12) have been integrated into the API, joining the other available versions of ESI, v2406 and v2206, and version v8 of Foundation.

Improved usability of DualSPHysics <a name="moresimulators_dualsphysics"></a>
The usability of the [DualSPHysics](https://tutorials.inductiva.ai/simulators/DualSPHysics.html) integration has been improved by enabling users to directly run a shell script with the specific commands of this simulator. This update replaces the old command list, allowing users to seamlessly run their simulation scripts in the Cloud exactly as they would locally, without any modifications.

Task’s life cycle in the python client <a name="moresimulators_commands"></a>
To close the loop on the [Task’s life cycle visibility](https://github.com/inductiva/inductiva/releases#taskslife), the python function inductiva tasks info <task_id> includes the list of commands run during the simulation - see the split in the In Progress phase:


Timeline:
Waiting for Input at 22/01, 20:23:11 11.464 s
In Queue at 22/01, 20:23:23 1002.323 s
Preparing to Compute at 22/01, 20:40:05 1.504 s
In Progress at 22/01, 20:40:07 985.312 s
├> 1.05 s dd if=/dev/stdin of=machinefile
└> 984.037 s swashrun -input DAKHLA.sws -mpi 192
Finalizing at 22/01, 20:56:32 4.42 s
Success at 22/01, 20:56:36

0.12.0

List of changes in the v0.12 release

Table of contents
- [Highlight: Benchmarks](Benchmarks)
- [Use task’s outputs as inputs to other tasks](output_input)

Benchmarks <a name="Benchmarks"></a>
Inductiva’s benchmarking tool allows the user to easily execute a batch of runs specifically aiming to measure and compare the performance of different configurations, such as machine types or simulation settings.
Check out Inductiva’s [Quick Recipe to run a benchmark](https://tutorials.inductiva.ai/how_to/run-benchmarks.html#).

Use task’s outputs as inputs to other tasks <a name="output_input"></a>
After the recent release of the ability to [reuse uploaded input files in multiple Tasks](https://tutorials.inductiva.ai/how_to/reuse-files.html#), the users’ time and effort is even more optimized with the capacity to [use Tasks’ outputs as input to other Tasks](https://tutorials.inductiva.ai/how_to/reuse-files.html#reuse-task-outputs-in-simulations) without having to download and upload.
This way, a Task’s input can simply point to a previous Task’s output folder, saving the user the time and trouble of having to download the output from their bucket to their computer and upload it again as part of the next Task’s input.

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