Task 38683631
| Name | test_731-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6957_0 |
| Workunit | 31625182 |
| Created | 27 Oct 2026, 12:37:47 UTC |
| Sent | 27 Oct 2026, 12:38:01 UTC |
| Report deadline | 1 Nov 2026, 12:38:01 UTC |
| Received | 28 Oct 2026, 4:17:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593978 |
| Run time | 44 min 34 sec |
| CPU time | 42 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,492.58 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.08 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:02:58 (3120): wrapper (7.9.26016): starting
18:02:58 (3120): 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
18:03:00 (3120): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:03:00 (3120): 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\36\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\36\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) : {3835136} normal block at 0x000001FF70A86E90, 8 bytes long.
Data: < p > 00 00 9E 70 FF 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833952} normal block at 0x000001FF72768760, 1080 bytes long.
Data: <PU > 50 55 00 00 CD CD CD CD B4 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001FF70A91010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:35:04 (6240): wrapper (7.9.26016): starting
19:35:04 (6240): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x000001A12AB84240, 8 bytes long.
Data: < * > 00 00 AD 2A A1 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001A12AB85490, 1080 bytes long.
Data: < J H > B8 4A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
21:17:58 (11208): wrapper (7.9.26016): starting
21:17:58 (11208): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x0000024F3DCA3130, 8 bytes long.
Data: < =O > 00 00 C6 3D 4F 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000024F3DCA39F0, 1080 bytes long.
Data: <0^ H > 30 5E 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:07:08 (27004): wrapper (7.9.26016): starting
23:07:08 (27004): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x0000028090A52C50, 8 bytes long.
Data: < > 00 00 9B 90 80 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000028090A53A10, 1080 bytes long.
Data: < l H > 18 6C 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:20:26 (18492): wrapper (7.9.26016): starting
23:20:26 (18492): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x000001E712B72B90, 8 bytes long.
Data: < > 00 00 AD 12 E7 01 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x000001E712B739F0, 1080 bytes long.
Data: <D* H > 44 2A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
23:46:14 (6548): wrapper (7.9.26016): starting
23:46:14 (6548): 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\36\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1485} normal block at 0x0000023154DE3120, 8 bytes long.
Data: < V1 > 00 00 8E 56 31 02 00 00
..\lib\diagnostics_win.cpp(417) : {301} normal block at 0x0000023154DE39E0, 1080 bytes long.
Data: < L > 90 01 00 00 CD CD CD CD 4C 01 00 00 00 00 00 00
Object dump complete.
00:06:27 (24400): wrapper (7.9.26016): starting
00:06:27 (24400): 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\36\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
00:15:55 (24400): C:/Windows/system32/cmd.exe exited; CPU time 547.171875
00:15:55 (24400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 9854548 bytes.
Dumping objects ->
{1574} normal block at 0x00000214D436CB50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x00000214D436CAE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1552} normal block at 0x00000214D436CA70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1541} normal block at 0x00000214D436CE60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1530} normal block at 0x00000214D436D170, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1499} normal block at 0x00000214D4373840, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x00000214D43737A0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1485} normal block at 0x00000214D4374A30, 8 bytes long.
Data: < > 00 00 CD D5 14 02 00 00
{882} normal block at 0x00000214D435C930, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{302} normal block at 0x00000214D4373E50, 8 bytes long.
Data: < 6 > B0 DA 36 D4 14 02 00 00
{293} normal block at 0x00000214D4355CE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000214D4373CC0, 16 bytes long.
Data: < N7 > B8 4E 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000214D4374990, 16 bytes long.
Data: < N7 > 90 4E 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000214D436E350, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000214D4374260, 16 bytes long.
Data: <hN7 > 68 4E 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000214D4374170, 16 bytes long.
Data: <@N7 > 40 4E 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000214D4373FE0, 16 bytes long.
Data: < N7 > 18 4E 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000214D4374350, 16 bytes long.
Data: < M7 > F0 4D 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000214D436CDF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000214D4374710, 16 bytes long.
Data: <x\5 > 78 5C 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000214D436E650, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000214D43748A0, 16 bytes long.
Data: <P\5 > 50 5C 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000214D4374670, 16 bytes long.
Data: <(\5 > 28 5C 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000214D4374440, 16 bytes long.
Data: < \5 > 00 5C 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000214D43745D0, 16 bytes long.
Data: < [5 > D8 5B 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000214D4373E00, 16 bytes long.
Data: < [5 > B0 5B 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000214D4374B20, 16 bytes long.
Data: < [5 > 88 5B 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000214D436E2F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000214D43744E0, 16 bytes long.
Data: <`[5 > 60 5B 35 D4 14 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000214D4355B60, 320 bytes long.
Data: < D7 6 > E0 44 37 D4 14 02 00 00 F0 E2 36 D4 14 02 00 00
{272} normal block at 0x00000214D43743F0, 16 bytes long.
Data: < M7 > D0 4D 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000214D4374800, 16 bytes long.
Data: < M7 > A8 4D 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000214D436E110, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000214D4373DB0, 16 bytes long.
Data: < M7 > 80 4D 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000214D436DFF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000214D43747B0, 16 bytes long.
Data: < L7 > C8 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000214D43749E0, 16 bytes long.
Data: < L7 > A0 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000214D4374940, 16 bytes long.
Data: <xL7 > 78 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000214D4374490, 16 bytes long.
Data: <PL7 > 50 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000214D4373EA0, 16 bytes long.
Data: <(L7 > 28 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000214D43748F0, 16 bytes long.
Data: < L7 > 00 4C 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000214D4373EF0, 16 bytes long.
Data: < 6 > 80 CD 36 D4 14 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000214D436CD80, 40 bytes long.
Data: < >7 @87 > F0 3E 37 D4 14 02 00 00 40 38 37 D4 14 02 00 00
{258} normal block at 0x00000214D4374760, 16 bytes long.
Data: < K7 > E0 4B 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000214D4374210, 16 bytes long.
Data: < K7 > B8 4B 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000214D436EBF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000214D4374AD0, 16 bytes long.
Data: < K7 > 90 4B 37 D4 14 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000214D4374B90, 992 bytes long.
Data: < J7 6 > D0 4A 37 D4 14 02 00 00 F0 EB 36 D4 14 02 00 00
{90} normal block at 0x00000214D436EE90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000214D43685F0, 16 bytes long.
Data: < 6 > B0 CF 36 D4 14 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000214D436CFB0, 40 bytes long.
Data: < 6 6 > F0 85 36 D4 14 02 00 00 90 EE 36 D4 14 02 00 00
{67} normal block at 0x00000214D4368230, 16 bytes long.
Data: < > 80 EA 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000214D43685A0, 16 bytes long.
Data: <@ > 40 E9 1A B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000214D4368A50, 16 bytes long.
Data: < W > F8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000214D4368A00, 16 bytes long.
Data: < W > D8 57 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000214D4368B90, 16 bytes long.
Data: <P > 50 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000214D43682D0, 16 bytes long.
Data: <0 > 30 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000214D4368500, 16 bytes long.
Data: < > E0 02 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000214D4368000, 16 bytes long.
Data: < > 10 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000214D4368820, 16 bytes long.
Data: <p > 70 04 17 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000214D4368910, 16 bytes long.
Data: < > 18 C0 15 B9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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