Sorry I wasn’t clear enough. By “the box is updated” I mean: I run DMGetBoundingBox and the resulting coordinates are updated according to the deformation gradient “F".
Thanks, Miguel On 24 Jan 2025, at 16:50, Matthew Knepley <knep...@gmail.com> wrote: On Fri, Jan 24, 2025 at 10:36 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Thanks Matt, I tried that too, and the problem remains. The box is updated only if I set no periodic bcc. What do you mean by "The box is updated"? I am trying to understand how you test things. Clearly the coordinates are updated, even in the periodic case. Thus, I need to understand the test. Once we do that, we can work backwards to the first broken thing. Thanks, Matt Miguel On 24 Jan 2025, at 14:20, Matthew Knepley <knep...@gmail.com<mailto:knep...@gmail.com>> wrote: On Fri, Jan 24, 2025 at 4:41 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Dear Matt, the error was in the implementation of the volume expansion function. I updated it, and it works finte under finite domains. However, if I include periodic boundary conditions the volume of the cell does not accommodate the volume expansion of the particles. The deformation gradient is not the identity… I guess I am missing the fine detail on how periodic bcc are implemented in DMDA mesh, I’m right? DMDA identifies vertices using a VecScatter to implement periodic BC. This should be insensitive to coordinates. However, I don't think the algorithm below is correct for local coordinates. You use GlobalToLocal(), which means that some global coordinate "wins" for each local cell, so cells on the periodic boundary can be wrong. I would set the local coordinates by hand as well. Thanks, Matt Thanks, Miguel static PetscErrorCode Volumetric_Expansion_DMDA(DM * da, const Eigen::Matrix3d& F) { PetscInt i, j, mstart, m, nstart, n, pstart, p, k; Vec local, global; DMDACoor3d ***coors, ***coorslocal; DM cda; PetscFunctionBeginUser; PetscCall(DMGetCoordinateDM(*da, &cda)); PetscCall(DMGetCoordinates(*da, &global)); PetscCall(DMGetCoordinatesLocal(*da, &local)); PetscCall(DMDAVecGetArray(cda, global, &coors)); PetscCall(DMDAVecGetArrayRead(cda, local, &coorslocal)); PetscCall(DMDAGetCorners(cda, &mstart, &nstart, &pstart, &m, &n, &p)); for (i = mstart; i < mstart + m; i++) { for (j = nstart; j < nstart + n; j++) { for (k = pstart; k < pstart + p; k++) { coors[k][j][i].x = coorslocal[k][j][i].x * F(0, 0); coors[k][j][i].y = coorslocal[k][j][i].y * F(1, 1); coors[k][j][i].z = coorslocal[k][j][i].z * F(2, 2); } } } PetscCall(DMDAVecRestoreArray(cda, global, &coors)); PetscCall(DMDAVecRestoreArrayRead(cda, local, &coorslocal)); PetscCall(DMGlobalToLocalBegin(cda, global, INSERT_VALUES, local)); PetscCall(DMGlobalToLocalEnd(cda, global, INSERT_VALUES, local)); PetscFunctionReturn(PETSC_SUCCESS); } On 17 Jan 2025, at 18:01, MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: You are right!! Thank you again! Miguel On Jan 17, 2025, at 5:18 PM, Matthew Knepley <knep...@gmail.com<mailto:knep...@gmail.com>> wrote: On Fri, Jan 17, 2025 at 10:49 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Now the error is in the call to DMSwarmMigrate You have almost certainly overwritten memory somewhere. Can you use vlagrind or Address Sanitizer? Thanks, Matt Miguel [0]PETSC ERROR: ------------------------------------------------------------------------ [0]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range [0]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger [0]PETSC ERROR: or see https://urldefense.us/v3/__https://petsc.org/release/faq/*valgrind__;Iw!!G_uCfscf7eWS!YBJNxMpqdAnpfP9vHgi1gmfo-WFNm3YYrsXC5UySv0wtvEJ1q1rYc4ekeCMs4GzMdy4KqT6QX8XCNoqip5EBaA$ and https://urldefense.us/v3/__https://petsc.org/release/faq/__;!!G_uCfscf7eWS!YBJNxMpqdAnpfP9vHgi1gmfo-WFNm3YYrsXC5UySv0wtvEJ1q1rYc4ekeCMs4GzMdy4KqT6QX8XCNooBisXS8g$ [0]PETSC ERROR: --------------------- Stack Frames ------------------------------------ [0]PETSC ERROR: The line numbers in the error traceback are not always exact. [0]PETSC ERROR: #1 DMSwarmDataBucketGetSizes() at /Users/migmolper/petsc/src/dm/impls/swarm/data_bucket.c:297 [0]PETSC ERROR: #2 DMSwarmMigrate_CellDMScatter() at /Users/migmolper/petsc/src/dm/impls/swarm/swarm_migrate.c:201 [0]PETSC ERROR: #3 DMSwarmMigrate() at /Users/migmolper/petsc/src/dm/impls/swarm/swarm.c:1349 [0]PETSC ERROR: #4 main() at /Users/migmolper/DMD/driver-tasting-SOLERA.cpp:41 application called MPI_Abort(MPI_COMM_WORLD, 59) - process 0 On Jan 17, 2025, at 4:22 PM, Matthew Knepley <knep...@gmail.com<mailto:knep...@gmail.com>> wrote: On Fri, Jan 17, 2025 at 10:08 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Thank you Matt, this the piece of code I use to change the coordinates of the DM obtained using: You do not need the call to DMSetCoordinates(). What happens when you remove it? Thanks, Matt DMSwarmGetCellDM(Simulation.atomistic_data, &bounding_cell); DMGetApplicationContext(bounding_cell, &background_mesh); Thanks, Miguel /************************************************************************/ PetscErrorCode Volumetric_Expansion(DM dm, const Eigen::Matrix3d& F) { PetscErrorCode ierr; Vec coordinates; PetscScalar* coordArray; PetscInt xs, ys, zs, xm, ym, zm, i, j, k; PetscInt dim, M, N, P; PetscFunctionBegin; // Get DMDA information ierr = DMDAGetInfo(dm, &dim, &M, &N, &P, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL, NULL); CHKERRQ(ierr); ierr = DMDAGetCorners(dm, &xs, &ys, &zs, &xm, &ym, &zm); CHKERRQ(ierr); // Get the coordinates vector ierr = DMGetCoordinates(dm, &coordinates); CHKERRQ(ierr); ierr = VecGetArray(coordinates, &coordArray); CHKERRQ(ierr); // Update the coordinates based on the desired transformation for (k = zs; k < zs + zm; k++) { for (j = ys; j < ys + ym; j++) { for (i = xs; i < xs + xm; i++) { PetscInt idx = ((k * N + j) * M + i) * dim; // Index for the i, j, k point coordArray[idx] = coordArray[idx] * F(0,0); // Update x-coordinate coordArray[idx + 1] = coordArray[idx + 1] * F(1,1); // Update y-coordinate coordArray[idx + 2] = coordArray[idx + 2] * F(2,2); // Update z-coordinate } } } // Restore the coordinates vector ierr = VecRestoreArray(coordinates, &coordArray); CHKERRQ(ierr); // Set the updated coordinates back to the DMDA ierr = DMSetCoordinates(dm, coordinates); CHKERRQ(ierr); PetscFunctionReturn(0); } /************************************************************************/ On 17 Jan 2025, at 16:00, Matthew Knepley <knep...@gmail.com<mailto:knep...@gmail.com>> wrote: On Fri, Jan 17, 2025 at 9:45 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: I tried what you suggested, but still I got this error message. Maybe I should use main release? No. I suspect something is wrong with the way you are setting coordinates. Can you share the code? Thanks, Matt Miguel [4]PETSC ERROR: ------------------------------------------------------------------------ [4]PETSC ERROR: Caught signal number 11 SEGV: Segmentation Violation, probably memory access out of range [4]PETSC ERROR: Try option -start_in_debugger or -on_error_attach_debugger [4]PETSC ERROR: or see https://urldefense.us/v3/__https://petsc.org/release/faq/*valgrind__;Iw!!G_uCfscf7eWS!YBJNxMpqdAnpfP9vHgi1gmfo-WFNm3YYrsXC5UySv0wtvEJ1q1rYc4ekeCMs4GzMdy4KqT6QX8XCNoqip5EBaA$ and https://urldefense.us/v3/__https://petsc.org/release/faq/__;!!G_uCfscf7eWS!YBJNxMpqdAnpfP9vHgi1gmfo-WFNm3YYrsXC5UySv0wtvEJ1q1rYc4ekeCMs4GzMdy4KqT6QX8XCNooBisXS8g$ [4]PETSC ERROR: --------------------- Stack Frames ------------------------------------ [4]PETSC ERROR: The line numbers in the error traceback are not always exact. [4]PETSC ERROR: #1 Pack_PetscReal_1_0() at /Users/migmolper/petsc/src/vec/is/sf/impls/basic/sfpack.c:373 [4]PETSC ERROR: #2 PetscSFLinkPackRootData_Private() at /Users/migmolper/petsc/src/vec/is/sf/impls/basic/sfpack.c:932 [4]PETSC ERROR: #3 PetscSFLinkPackRootData() at /Users/migmolper/petsc/src/vec/is/sf/impls/basic/sfpack.c:966 [4]PETSC ERROR: #4 PetscSFBcastBegin_Basic() at /Users/migmolper/petsc/src/vec/is/sf/impls/basic/sfbasic.c:357 [4]PETSC ERROR: #5 PetscSFBcastWithMemTypeBegin() at /Users/migmolper/petsc/src/vec/is/sf/interface/sf.c:1513 [4]PETSC ERROR: #6 VecScatterBegin_Internal() at /Users/migmolper/petsc/src/vec/is/sf/interface/vscat.c:70 [4]PETSC ERROR: #7 VecScatterBegin() at /Users/migmolper/petsc/src/vec/is/sf/interface/vscat.c:1316 [4]PETSC ERROR: #8 DMGlobalToLocalBegin_DA() at /Users/migmolper/petsc/src/dm/impls/da/dagtol.c:15 [4]PETSC ERROR: #9 DMGlobalToLocalBegin() at /Users/migmolper/petsc/src/dm/interface/dm.c:2844 [4]PETSC ERROR: #10 DMGetCoordinatesLocalSetUp() at /Users/migmolper/petsc/src/dm/interface/dmcoordinates.c:565 [4]PETSC ERROR: #11 DMGetCoordinatesLocal() at /Users/migmolper/petsc/src/dm/interface/dmcoordinates.c:599 [4]PETSC ERROR: #12 _DMLocatePoints_DMDARegular_IS() at /Users/migmolper/DMD/SOLERA/Atoms/Atom.cpp:531 [4]PETSC ERROR: #13 DMLocatePoints_DMDARegular() at /Users/migmolper/DMD/SOLERA/Atoms/Atom.cpp:586 [4]PETSC ERROR: #14 DMLocatePoints() at /Users/migmolper/petsc/src/dm/interface/dmcoordinates.c:1194 [4]PETSC ERROR: #15 DMSwarmMigrate_CellDMScatter() at /Users/migmolper/petsc/src/dm/impls/swarm/swarm_migrate.c:219 [4]PETSC ERROR: #16 DMSwarmMigrate() at /Users/migmolper/petsc/src/dm/impls/swarm/swarm.c:1349 [4]PETSC ERROR: #17 main() at /Users/migmolper/DMD/driver-tasting-SOLERA.cpp:41 On Jan 15, 2025, at 4:56 PM, MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Thank you Matt for the useful info. I’ll try your idea. Miguel On 15 Jan 2025, at 16:48, Matthew Knepley <knep...@gmail.com<mailto:knep...@gmail.com>> wrote: On Wed, Jan 15, 2025 at 10:41 AM MIGUEL MOLINOS PEREZ <mmoli...@us.es<mailto:mmoli...@us.es>> wrote: Thank you Matt. Yes, I am getting the "CellDM" from the DMSwarm. 1. I have recently overhauled this functionality because it was not flexible enough for the plasma simulation we do. Thus main and release work differently. Nice to hear that. Should I move to main? The changes allow you to have several cell DMs. I want to bin particles in space, but also in velocity, and then in the tensor product of space and velocity. Moreover, sometimes I want to use different Swarm fields as the DM field for the solver. You can do all that with main now. If you just need a single DM with the same DM fields, release is fine. 2. I assume you are using release You are correct. 3. In both main and release, if you change the coordinates of your CellDM mesh, you need to rebin the particles. The easiest way to do this is to call DMSwarmMigrate(sw, PETSC_FALSE). What do you mean by rebin? When you provide the cell DM, Swrm makes a "sort context" that bins the particles into DM cells. If you change the coordinates, this binning will change, so you need it to "rebin" or recreate the sort context. 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