Task 38699040
| Name | test_686-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND9541_1 |
| Workunit | 31639489 |
| Created | 3 Nov 2026, 11:47:29 UTC |
| Sent | 3 Nov 2026, 11:47:34 UTC |
| Report deadline | 8 Nov 2026, 11:47:34 UTC |
| Received | 3 Nov 2026, 17:29:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605459 |
| Run time | 2 hours 15 min 29 sec |
| CPU time | 2 hours 9 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 1,097.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.44 MB |
| Peak swap size | 6.74 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:50:04 (100620): wrapper (7.9.26016): starting
08:50:04 (100620): 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
08:50:07 (100620): Library/usr/bin/tar.exe exited; CPU time 0.031250
08:50:07 (100620): 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\3\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\3\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) : {3835344} normal block at 0x000001D576A8C300, 8 bytes long.
Data: < w > 00 00 19 77 D5 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000001D578D93110, 1080 bytes long.
Data: < o > FC 6F 01 00 CD CD CD CD B8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D576A803A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:04:16 (21556): wrapper (7.9.26016): starting
09:04:16 (21556): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x00000222D0774E50, 8 bytes long.
Data: < " > 00 00 B1 D0 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x00000222D0775C40, 1080 bytes long.
Data: <L] > 4C 5D 00 00 CD CD CD CD 1C 02 00 00 00 00 00 00
Object dump complete.
09:48:31 (70192): wrapper (7.9.26016): starting
09:48:31 (70192): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000001D0160848B0, 8 bytes long.
Data: < ! > 00 00 21 16 D0 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001D016085C40, 1080 bytes long.
Data: < _ > 0C 5F 01 00 CD CD CD CD 00 02 00 00 00 00 00 00
Object dump complete.
12:01:36 (82664): wrapper (7.9.26016): starting
12:01:36 (82664): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000002C1AED552B0, 8 bytes long.
Data: < > 00 00 F8 AE C1 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002C1AED55C40, 1080 bytes long.
Data: < g > 90 67 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
Object dump complete.
12:07:28 (98504): wrapper (7.9.26016): starting
12:07:28 (98504): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000002A3ABDF5260, 8 bytes long.
Data: < > 00 00 DC AB A3 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002A3ABDF5C40, 1080 bytes long.
Data: < r > 80 72 01 00 CD CD CD CD 04 02 00 00 00 00 00 00
Object dump complete.
13:26:48 (49620): wrapper (7.9.26016): starting
13:26:48 (49620): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000001822B3F4C70, 8 bytes long.
Data: < b+ > 00 00 62 2B 82 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001822B3F5C40, 1080 bytes long.
Data: <h > 68 C4 00 00 CD CD CD CD FC 01 00 00 00 00 00 00
Object dump complete.
13:31:23 (79980): wrapper (7.9.26016): starting
13:31:23 (79980): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x0000025B08D04D10, 8 bytes long.
Data: < [ > 00 00 00 09 5B 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x0000025B08D05C40, 1080 bytes long.
Data: < ) > B8 29 01 00 CD CD CD CD E8 01 00 00 00 00 00 00
Object dump complete.
13:55:05 (42216): wrapper (7.9.26016): starting
13:55:05 (42216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000002194FA14CC0, 8 bytes long.
Data: < O > 00 00 B6 4F 19 02 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000002194FA15C40, 1080 bytes long.
Data: < > 08 E7 00 00 CD CD CD CD 1C 02 00 00 00 00 00 00
Object dump complete.
14:07:57 (77348): wrapper (7.9.26016): starting
14:07:57 (77348): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1688} normal block at 0x000001E276855080, 8 bytes long.
Data: < v > 00 00 BC 76 E2 01 00 00
..\lib\diagnostics_win.cpp(417) : {306} normal block at 0x000001E276855C40, 1080 bytes long.
Data: < I > BC 49 01 00 CD CD CD CD F4 01 00 00 00 00 00 00
Object dump complete.
14:13:09 (102308): wrapper (7.9.26016): starting
14:13:09 (102308): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Un sous-r‚pertoire ou un fichier C:\ProgramData\BOINC\slots\3\tmp existe d‚j….
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
14:28:09 (102308): C:/Windows/system32/cmd.exe exited; CPU time 845.890625
14:28:09 (102308): 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: 15167980 bytes.
Dumping objects ->
{1776} normal block at 0x00000276A44D3080, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1765} normal block at 0x00000276A44D34E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1754} normal block at 0x00000276A44D3710, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1743} normal block at 0x00000276A44D3010, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1732} normal block at 0x00000276A44D36A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1701} normal block at 0x00000276A44BF0F0, 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) : {1688} normal block at 0x00000276A44D52B0, 8 bytes long.
Data: < q v > 00 00 71 A4 76 02 00 00
{307} normal block at 0x00000276A44D57B0, 8 bytes long.
Data: <@\M v > 40 5C 4D A4 76 02 00 00
{298} normal block at 0x00000276A44C8CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000276A44D5030, 16 bytes long.
Data: <H[M v > 48 5B 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000276A44D5670, 16 bytes long.
Data: < [M v > 20 5B 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000276A44CFDC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000276A44D5120, 16 bytes long.
Data: < ZM v > F8 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000276A44D4D10, 16 bytes long.
Data: < ZM v > D0 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000276A44D4F90, 16 bytes long.
Data: < ZM v > A8 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000276A44D4FE0, 16 bytes long.
Data: < ZM v > 80 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000276A44D35C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000276A44D4EF0, 16 bytes long.
Data: <h K v > 68 F4 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000276A44CFBE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000276A44D5440, 16 bytes long.
Data: <@ K v > 40 F4 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000276A44D5530, 16 bytes long.
Data: < K v > 18 F4 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000276A44D4E50, 16 bytes long.
Data: < K v > F0 F3 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000276A44D5620, 16 bytes long.
Data: < K v > C8 F3 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000276A44D51C0, 16 bytes long.
Data: < K v > A0 F3 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000276A44D4E00, 16 bytes long.
Data: <x K v > 78 F3 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000276A44D0AE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000276A44D49F0, 16 bytes long.
Data: <P K v > 50 F3 4B A4 76 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000276A44BF350, 320 bytes long.
Data: < IM v M v > F0 49 4D A4 76 02 00 00 E0 0A 4D A4 76 02 00 00
{277} normal block at 0x00000276A44D4F40, 16 bytes long.
Data: <`ZM v > 60 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000276A44D4CC0, 16 bytes long.
Data: <8ZM v > 38 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000276A44D0300, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000276A44D53A0, 16 bytes long.
Data: < ZM v > 10 5A 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000276A44D04E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000276A44D5490, 16 bytes long.
Data: <XYM v > 58 59 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000276A44D5580, 16 bytes long.
Data: <0YM v > 30 59 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000276A44D4EA0, 16 bytes long.
Data: < YM v > 08 59 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000276A44D50D0, 16 bytes long.
Data: < XM v > E0 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000276A44D5170, 16 bytes long.
Data: < XM v > B8 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000276A44D49A0, 16 bytes long.
Data: < XM v > 90 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000276A44D53F0, 16 bytes long.
Data: <@2M v > 40 32 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000276A44D3240, 40 bytes long.
Data: < SM v K v > F0 53 4D A4 76 02 00 00 F0 F0 4B A4 76 02 00 00
{263} normal block at 0x00000276A44D4C70, 16 bytes long.
Data: <pXM v > 70 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000276A44D55D0, 16 bytes long.
Data: <HXM v > 48 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000276A44D09C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000276A44D4DB0, 16 bytes long.
Data: < XM v > 20 58 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000276A44D5820, 992 bytes long.
Data: < MM v M v > B0 4D 4D A4 76 02 00 00 C0 09 4D A4 76 02 00 00
{95} normal block at 0x00000276A44D0120, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000276A44CCD00, 16 bytes long.
Data: <P5M v > 50 35 4D A4 76 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000276A44D3550, 40 bytes long.
Data: < L v M v > 00 CD 4C A4 76 02 00 00 20 01 4D A4 76 02 00 00
{72} normal block at 0x00000276A44CC760, 16 bytes long.
Data: < j > 80 EA A1 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000276A44CCA30, 16 bytes long.
Data: <@ j > 40 E9 A1 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000276A44CCF80, 16 bytes long.
Data: < W j > F8 57 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000276A44CC6C0, 16 bytes long.
Data: < W j > D8 57 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000276A44CD0C0, 16 bytes long.
Data: <P j > 50 04 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000276A44CCEE0, 16 bytes long.
Data: <0 j > 30 04 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000276A44CD020, 16 bytes long.
Data: < j > E0 02 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000276A44CC710, 16 bytes long.
Data: < j > 10 04 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000276A44CC440, 16 bytes long.
Data: <p j > 70 04 9E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000276A44CCE90, 16 bytes long.
Data: < j > 18 C0 9C 6A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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