Task 38652575
| Name | test_424-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0527_0 |
| Workunit | 31596716 |
| Created | 24 Oct 2026, 4:08:04 UTC |
| Sent | 24 Oct 2026, 4:19:51 UTC |
| Report deadline | 29 Oct 2026, 4:19:51 UTC |
| Received | 24 Oct 2026, 5:48:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641545 |
| Run time | 27 min 4 sec |
| CPU time | 26 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,562.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 672.14 MB |
| Peak swap size | 5.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:36:29 (51652): wrapper (7.9.26016): starting
05:36:29 (51652): 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
05:36:30 (51652): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:36:30 (51652): 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 'E:\bonic2\slots\1\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 'E:\bonic2\slots\1\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) : {3835324} normal block at 0x0000023CB181BB00, 8 bytes long.
Data: < < > 00 00 CF B1 3C 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833986} normal block at 0x0000023CB350EAD0, 1080 bytes long.
Data: <$ , > 24 C5 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000023CB1821080, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:44:02 (45292): wrapper (7.9.26016): starting
05:44:02 (45292): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001B1ECEA5040, 8 bytes long.
Data: < > 00 00 E7 EC B1 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000001B1ECEA6140, 1080 bytes long.
Data: < L > 00 0A 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
05:50:27 (29508): wrapper (7.9.26016): starting
05:50:27 (29508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000002BEFF0E52C0, 8 bytes long.
Data: < L > 00 00 4C FF BE 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000002BEFF0E6140, 1080 bytes long.
Data: <H D > 48 AF 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
05:57:19 (51468): wrapper (7.9.26016): starting
05:57:19 (51468): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000002CA01B35040, 8 bytes long.
Data: < > 00 00 A9 01 CA 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000002CA01B36140, 1080 bytes long.
Data: < > A0 BE 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
06:07:19 (43056): wrapper (7.9.26016): starting
06:07:19 (43056): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000020061984960, 8 bytes long.
Data: < a > 00 00 EF 61 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x0000020061986140, 1080 bytes long.
Data: < P > A4 A9 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
06:19:22 (9012): wrapper (7.9.26016): starting
06:19:22 (9012): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x0000014A9B4A4BE0, 8 bytes long.
Data: < J > 00 00 F6 9C 4A 01 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x0000014A9B4A6140, 1080 bytes long.
Data: < D > EC AC 00 00 CD CD CD CD 44 01 00 00 00 00 00 00
Object dump complete.
06:23:18 (3904): wrapper (7.9.26016): starting
06:23:18 (3904): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000002C96A304FA0, 8 bytes long.
Data: < zj > 00 00 7A 6A C9 02 00 00
..\lib\diagnostics_win.cpp(417) : {318} normal block at 0x000002C96A306140, 1080 bytes long.
Data: < > EC C0 00 00 CD CD CD CD B0 00 00 00 00 00 00 00
Object dump complete.
06:33:17 (39608): wrapper (7.9.26016): starting
06:33:17 (39608): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\bonic2\slots\1\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
06:39:55 (39608): C:/Windows/system32/cmd.exe exited; CPU time 355.328125
06:39:55 (39608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 8564743 bytes.
Dumping objects ->
{1744} normal block at 0x000001EE90E2E7E0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1733} normal block at 0x000001EE90E2E0F0, 32 bytes long.
Data: <HOME=E:\bonic2\s> 48 4F 4D 45 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1722} normal block at 0x000001EE90E2DD30, 32 bytes long.
Data: <TMP=E:\bonic2\sl> 54 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73 6C
{1711} normal block at 0x000001EE90E2E090, 32 bytes long.
Data: <TEMP=E:\bonic2\s> 54 45 4D 50 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
{1700} normal block at 0x000001EE90E2DE50, 32 bytes long.
Data: <TMPDIR=E:\bonic2> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 6E 69 63 32
{1669} normal block at 0x000001EE90E2ECB0, 48 bytes long.
Data: <PATH=E:\bonic2\s> 50 41 54 48 3D 45 3A 5C 62 6F 6E 69 63 32 5C 73
..\api\boinc_api.cpp(309) : {1656} normal block at 0x000001EE90E34F50, 8 bytes long.
Data: < > 00 00 E0 90 EE 01 00 00
{319} normal block at 0x000001EE90E35810, 8 bytes long.
Data: <@a > 40 61 E3 90 EE 01 00 00
{310} normal block at 0x000001EE90E27880, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x000001EE90E356D0, 16 bytes long.
Data: <H` > 48 60 E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001EE90E34FF0, 16 bytes long.
Data: < ` > 20 60 E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000001EE90E2E210, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x000001EE90E34BE0, 16 bytes long.
Data: < _ > F8 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001EE90E35310, 16 bytes long.
Data: < _ > D0 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001EE90E352C0, 16 bytes long.
Data: < _ > A8 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001EE90E35450, 16 bytes long.
Data: < _ > 80 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001EE90E2E770, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x000001EE90E35090, 16 bytes long.
Data: <h > 68 A3 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001EE90E2DBB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x000001EE90E34FA0, 16 bytes long.
Data: <@ > 40 A3 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EE90E354F0, 16 bytes long.
Data: < > 18 A3 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EE90E34EB0, 16 bytes long.
Data: < > F0 A2 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EE90E357C0, 16 bytes long.
Data: < > C8 A2 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EE90E34B90, 16 bytes long.
Data: < > A0 A2 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EE90E35770, 16 bytes long.
Data: <x > 78 A2 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EE90E2D7F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x000001EE90E35270, 16 bytes long.
Data: <P > 50 A2 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EE90E2A250, 320 bytes long.
Data: <pR > 70 52 E3 90 EE 01 00 00 F0 D7 E2 90 EE 01 00 00
{289} normal block at 0x000001EE90E35180, 16 bytes long.
Data: <`_ > 60 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EE90E35220, 16 bytes long.
Data: <8_ > 38 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EE90E2D670, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x000001EE90E34E60, 16 bytes long.
Data: < _ > 10 5F E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EE90E2DB50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x000001EE90E34B40, 16 bytes long.
Data: <X^ > 58 5E E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EE90E34E10, 16 bytes long.
Data: <0^ > 30 5E E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EE90E35720, 16 bytes long.
Data: < ^ > 08 5E E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EE90E34AA0, 16 bytes long.
Data: < ] > E0 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EE90E355E0, 16 bytes long.
Data: < ] > B8 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EE90E34D20, 16 bytes long.
Data: < ] > 90 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EE90E350E0, 16 bytes long.
Data: < > 10 EA E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EE90E2EA10, 40 bytes long.
Data: < P > E0 50 E3 90 EE 01 00 00 B0 EC E2 90 EE 01 00 00
{275} normal block at 0x000001EE90E34F00, 16 bytes long.
Data: <p] > 70 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EE90E35130, 16 bytes long.
Data: <H] > 48 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EE90E2E3F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x000001EE90E35040, 16 bytes long.
Data: < ] > 20 5D E3 90 EE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EE90E35D20, 992 bytes long.
Data: <@P > 40 50 E3 90 EE 01 00 00 F0 E3 E2 90 EE 01 00 00
{107} normal block at 0x000001EE90E2DCD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x000001EE90E2BD80, 16 bytes long.
Data: <P > 50 E8 E2 90 EE 01 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000001EE90E2E850, 40 bytes long.
Data: < > 80 BD E2 90 EE 01 00 00 D0 DC E2 90 EE 01 00 00
{84} normal block at 0x000001EE90E2C4B0, 16 bytes long.
Data: < =^ > 80 EA 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001EE90E2C050, 16 bytes long.
Data: <@ =^ > 40 E9 3D 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001EE90E2BC90, 16 bytes long.
Data: < W:^ > F8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001EE90E2BDD0, 16 bytes long.
Data: < W:^ > D8 57 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001EE90E2BBF0, 16 bytes long.
Data: <P :^ > 50 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001EE90E2C370, 16 bytes long.
Data: <0 :^ > 30 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001EE90E2C1E0, 16 bytes long.
Data: < :^ > E0 02 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001EE90E2C2D0, 16 bytes long.
Data: < :^ > 10 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001EE90E2C190, 16 bytes long.
Data: <p :^ > 70 04 3A 5E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001EE90E2B9C0, 16 bytes long.
Data: < 8^ > 18 C0 38 5E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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