Task 38671971
| Name | test_962-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3527_0 |
| Workunit | 31614149 |
| Created | 25 Oct 2026, 22:04:59 UTC |
| Sent | 25 Oct 2026, 22:05:13 UTC |
| Report deadline | 30 Oct 2026, 22:05:13 UTC |
| Received | 27 Oct 2026, 13:18:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641248 |
| Run time | 1 hours 28 min 51 sec |
| CPU time | 1 hours 27 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,740.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.89 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:17:09 (3728): wrapper (7.9.26016): starting
04:17:09 (3728): 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
04:17:10 (3728): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:17:10 (3728): 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\18\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\18\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) : {3835377} normal block at 0x000001D83333F6E0, 8 bytes long.
Data: < 3 > 00 00 84 33 D8 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001D83336B1D0, 1080 bytes long.
Data: <$M @ > 24 4D 00 00 CD CD CD CD 40 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D833340AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:01:29 (20564): wrapper (7.9.26016): starting
07:01:29 (20564): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001A01BFB53B0, 8 bytes long.
Data: < > 00 00 F7 1B A0 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001A01BFB6740, 1080 bytes long.
Data: < * H > A4 2A 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
08:15:06 (13608): wrapper (7.9.26016): starting
08:15:06 (13608): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x000001C1CEAD6330, 8 bytes long.
Data: < > 00 00 A7 CE C1 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001C1CEAD6860, 1080 bytes long.
Data: < b , > 20 62 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
10:06:44 (24144): wrapper (7.9.26016): starting
10:06:44 (24144): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x0000011F06255F70, 8 bytes long.
Data: < t > 00 00 74 06 1F 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000011F06256860, 1080 bytes long.
Data: < b H > A4 62 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
11:06:50 (17964): wrapper (7.9.26016): starting
11:06:50 (17964): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x00000229B1865900, 8 bytes long.
Data: < ) > 00 00 D6 B1 29 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000229B18667E0, 1080 bytes long.
Data: < K P > DC 4B 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:02:05 (18596): wrapper (7.9.26016): starting
12:02:05 (18596): 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\18\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1724} normal block at 0x0000014E72A257C0, 8 bytes long.
Data: < rN > 00 00 FC 72 4E 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000014E72A267E0, 1080 bytes long.
Data: < a H > CC 61 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
14:06:30 (19516): wrapper (7.9.26016): starting
14:06:30 (19516): 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\18\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
14:18:26 (19516): C:/Windows/system32/cmd.exe exited; CPU time 691.843750
14:18:26 (19516): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 10824339 bytes.
Dumping objects ->
{1813} normal block at 0x000002694A824C60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1802} normal block at 0x000002694A824FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1791} normal block at 0x000002694A8250C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1780} normal block at 0x000002694A824BF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1769} normal block at 0x000002694A824F00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1738} normal block at 0x000002694A81E760, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1727} normal block at 0x000002694A80B650, 180 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) : {1724} normal block at 0x000002694A825CE0, 8 bytes long.
Data: < Ji > 00 00 7F 4A 69 02 00 00
{1006} normal block at 0x000002694A80C770, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x000002694A825F60, 8 bytes long.
Data: < i Ji > 90 69 82 4A 69 02 00 00
{295} normal block at 0x000002694A8156A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002694A8259C0, 16 bytes long.
Data: < h Ji > 98 68 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002694A825650, 16 bytes long.
Data: <ph Ji > 70 68 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002694A820620, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002694A826500, 16 bytes long.
Data: <Hh Ji > 48 68 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002694A826000, 16 bytes long.
Data: < h Ji > 20 68 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002694A825970, 16 bytes long.
Data: < g Ji > F8 67 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002694A825880, 16 bytes long.
Data: < g Ji > D0 67 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002694A825130, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002694A825FB0, 16 bytes long.
Data: < Ji > F8 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002694A8205C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002694A825600, 16 bytes long.
Data: < Ji > D0 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002694A8261E0, 16 bytes long.
Data: < Ji > A8 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002694A825C90, 16 bytes long.
Data: < Ji > 80 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002694A825C40, 16 bytes long.
Data: <X Ji > 58 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002694A826230, 16 bytes long.
Data: <0 Ji > 30 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002694A825920, 16 bytes long.
Data: < Ji > 08 E6 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002694A81F900, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002694A8258D0, 16 bytes long.
Data: < Ji > E0 E5 81 4A 69 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002694A81E5E0, 320 bytes long.
Data: < X Ji Ji > D0 58 82 4A 69 02 00 00 00 F9 81 4A 69 02 00 00
{274} normal block at 0x000002694A826190, 16 bytes long.
Data: < g Ji > B0 67 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002694A825A10, 16 bytes long.
Data: < g Ji > 88 67 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002694A820440, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002694A825EC0, 16 bytes long.
Data: <`g Ji > 60 67 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002694A81FA80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002694A825830, 16 bytes long.
Data: < f Ji > A8 66 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002694A8264B0, 16 bytes long.
Data: < f Ji > 80 66 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002694A825E70, 16 bytes long.
Data: <Xf Ji > 58 66 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002694A826050, 16 bytes long.
Data: <0f Ji > 30 66 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002694A825B00, 16 bytes long.
Data: < f Ji > 08 66 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002694A825F10, 16 bytes long.
Data: < e Ji > E0 65 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002694A826280, 16 bytes long.
Data: <PP Ji > 50 50 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002694A825050, 40 bytes long.
Data: < b Ji ` Ji > 80 62 82 4A 69 02 00 00 60 E7 81 4A 69 02 00 00
{260} normal block at 0x000002694A825B50, 16 bytes long.
Data: < e Ji > C0 65 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002694A826140, 16 bytes long.
Data: < e Ji > 98 65 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002694A820140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002694A825740, 16 bytes long.
Data: <pe Ji > 70 65 82 4A 69 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002694A826570, 992 bytes long.
Data: <@W Ji @ Ji > 40 57 82 4A 69 02 00 00 40 01 82 4A 69 02 00 00
{92} normal block at 0x000002694A81FC60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002694A81EF10, 16 bytes long.
Data: <p Ji > 70 D9 80 4A 69 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002694A80D970, 40 bytes long.
Data: < Ji ` Ji > 10 EF 81 4A 69 02 00 00 60 FC 81 4A 69 02 00 00
{69} normal block at 0x000002694A81EEC0, 16 bytes long.
Data: < > 80 EA FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002694A81EB50, 16 bytes long.
Data: <@ > 40 E9 FE 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002694A81F050, 16 bytes long.
Data: < W > F8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002694A81EE20, 16 bytes long.
Data: < W > D8 57 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002694A81F280, 16 bytes long.
Data: <P > 50 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002694A81EA60, 16 bytes long.
Data: <0 > 30 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002694A81ED80, 16 bytes long.
Data: < > E0 02 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002694A81ED30, 16 bytes long.
Data: < > 10 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002694A81EFB0, 16 bytes long.
Data: <p > 70 04 FB 99 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002694A81EBA0, 16 bytes long.
Data: < > 18 C0 F9 99 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra