Task 38645625
| Name | test_252-GPUGRID_TEST_ATM_500_20261023-0-1-RND7479_0 |
| Workunit | 31590589 |
| Created | 23 Oct 2026, 16:08:49 UTC |
| Sent | 23 Oct 2026, 16:19:54 UTC |
| Report deadline | 28 Oct 2026, 16:19:54 UTC |
| Received | 23 Oct 2026, 21:37:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 561090 |
| Run time | 44 min 25 sec |
| CPU time | 44 min 25 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| Device peak FLOPS | 8,189.73 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 3.77 GB |
| Peak swap size | 3.75 GB |
| Peak disk usage | 2.78 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:21:08 (19284): wrapper (7.9.26016): starting
15:21:08 (19284): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
15:21:10 (19284): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:21:10 (19284): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\8\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\8\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835103} normal block at 0x00000292437065F0, 8 bytes long.
Data: < mC > 00 00 6D 43 92 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x0000029245121CA0, 1080 bytes long.
Data: <l > 6C 84 00 00 CD CD CD CD 98 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000029243710660, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:34:40 (5328): wrapper (7.9.26016): starting
15:34:40 (5328): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1453} normal block at 0x0000022DE8485650, 8 bytes long.
Data: < D - > 00 00 44 E8 2D 02 00 00
..\lib\diagnostics_win.cpp(417) : {300} normal block at 0x0000022DE8485CE0, 1080 bytes long.
Data: <TF > 54 46 00 00 CD CD CD CD 9C 00 00 00 00 00 00 00
Object dump complete.
16:09:48 (25172): wrapper (7.9.26016): starting
16:09:48 (25172): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\8\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
16:36:24 (25172): C:/Windows/system32/cmd.exe exited; CPU time 1375.656250
16:36:24 (25172): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 30544744 bytes.
Dumping objects ->
{1541} normal block at 0x000002484E5AE1B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x000002484E5ADE30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1519} normal block at 0x000002484E5AE530, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1508} normal block at 0x000002484E5AE060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1497} normal block at 0x000002484E5ADFF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1466} normal block at 0x000002484E59BF50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1453} normal block at 0x000002484E5B2AA0, 8 bytes long.
Data: < RNH > 00 00 52 4E 48 02 00 00
{301} normal block at 0x000002484E5B2C30, 8 bytes long.
Data: < L[NH > B0 4C 5B 4E 48 02 00 00
{292} normal block at 0x000002484E59DD70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002484E5B28C0, 16 bytes long.
Data: < K[NH > B8 4B 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002484E5B3720, 16 bytes long.
Data: < K[NH > 90 4B 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002484E5ABE90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002484E5B36D0, 16 bytes long.
Data: <hK[NH > 68 4B 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002484E5B2F00, 16 bytes long.
Data: <@K[NH > 40 4B 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002484E5B2EB0, 16 bytes long.
Data: < K[NH > 18 4B 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002484E5B3630, 16 bytes long.
Data: < J[NH > F0 4A 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002484E5ADF10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002484E5B3680, 16 bytes long.
Data: < cYNH > A8 63 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002484E5AB950, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002484E5B3090, 16 bytes long.
Data: < cYNH > 80 63 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002484E5B2E10, 16 bytes long.
Data: <XcYNH > 58 63 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002484E5B2DC0, 16 bytes long.
Data: <0cYNH > 30 63 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002484E5B2FF0, 16 bytes long.
Data: < cYNH > 08 63 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002484E5B2A50, 16 bytes long.
Data: < bYNH > E0 62 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002484E5B2D70, 16 bytes long.
Data: < bYNH > B8 62 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002484E5AC850, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002484E5B3540, 16 bytes long.
Data: < bYNH > 90 62 59 4E 48 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002484E596290, 320 bytes long.
Data: <@5[NH P ZNH > 40 35 5B 4E 48 02 00 00 50 C8 5A 4E 48 02 00 00
{271} normal block at 0x000002484E5B34A0, 16 bytes long.
Data: < J[NH > D0 4A 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002484E5B3270, 16 bytes long.
Data: < J[NH > A8 4A 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002484E5AC010, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002484E5B2B40, 16 bytes long.
Data: < J[NH > 80 4A 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002484E5ABF50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002484E5B3130, 16 bytes long.
Data: < I[NH > C8 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002484E5B2AF0, 16 bytes long.
Data: < I[NH > A0 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002484E5B30E0, 16 bytes long.
Data: <xI[NH > 78 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002484E5B3450, 16 bytes long.
Data: <PI[NH > 50 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002484E5B3220, 16 bytes long.
Data: <(I[NH > 28 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002484E5B2A00, 16 bytes long.
Data: < I[NH > 00 49 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002484E5B2BE0, 16 bytes long.
Data: < ZNH > C0 E4 5A 4E 48 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002484E5AE4C0, 40 bytes long.
Data: < +[NH P YNH > E0 2B 5B 4E 48 02 00 00 50 BF 59 4E 48 02 00 00
{257} normal block at 0x000002484E5B3180, 16 bytes long.
Data: < H[NH > E0 48 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002484E5B2D20, 16 bytes long.
Data: < H[NH > B8 48 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002484E5AC790, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002484E5B3770, 16 bytes long.
Data: < H[NH > 90 48 5B 4E 48 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002484E5B4890, 992 bytes long.
Data: <p7[NH ZNH > 70 37 5B 4E 48 02 00 00 90 C7 5A 4E 48 02 00 00
{89} normal block at 0x000002484E5AC190, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002484E5A6FC0, 16 bytes long.
Data: < ZNH > E0 E3 5A 4E 48 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002484E5AE3E0, 40 bytes long.
Data: < oZNH ZNH > C0 6F 5A 4E 48 02 00 00 90 C1 5A 4E 48 02 00 00
{66} normal block at 0x000002484E5A74C0, 16 bytes long.
Data: < q > 80 EA A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002484E5A7A60, 16 bytes long.
Data: <@ q > 40 E9 A3 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002484E5A7330, 16 bytes long.
Data: < W q > F8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002484E5A76A0, 16 bytes long.
Data: < W q > D8 57 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002484E5A6CA0, 16 bytes long.
Data: <P q > 50 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002484E5A73D0, 16 bytes long.
Data: <0 q > 30 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002484E5A7830, 16 bytes long.
Data: < q > E0 02 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002484E5A7B00, 16 bytes long.
Data: < q > 10 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002484E5A6E30, 16 bytes long.
Data: <p q > 70 04 A0 71 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002484E5A7AB0, 16 bytes long.
Data: < q > 18 C0 9E 71 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra