Task 38677987
| Name | test_982-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND6536_0 |
| Workunit | 31619832 |
| Created | 26 Oct 2026, 16:01:29 UTC |
| Sent | 26 Oct 2026, 16:01:31 UTC |
| Report deadline | 31 Oct 2026, 16:01:31 UTC |
| Received | 26 Oct 2026, 17:18:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641471 |
| Run time | 21 min 54 sec |
| CPU time | 19 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.73 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:30:08 (23600): wrapper (7.9.26016): starting
16:30:08 (23600): 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
16:30:09 (23600): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:30:09 (23600): 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\15\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\15\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) : {3835165} normal block at 0x000002980BD607D0, 8 bytes long.
Data: < > 00 00 D2 0B 98 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x000002980DB83CA0, 1080 bytes long.
Data: < J > A0 4A 00 00 CD CD CD CD 84 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002980BD618D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
17:01:25 (7612): wrapper (7.9.26016): starting
17:01:25 (7612): 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\15\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
17:17:19 (7612): C:/Windows/system32/cmd.exe exited; CPU time 912.687500
17:17:19 (7612): 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: 16140483 bytes.
Dumping objects ->
{1598} normal block at 0x0000024315874A30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x0000024315874BF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x0000024315874CD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1565} normal block at 0x00000243158750C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1554} normal block at 0x0000024315874E90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1523} normal block at 0x000002431585F540, 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) : {1510} normal block at 0x00000243158765F0, 8 bytes long.
Data: < C > 00 00 81 15 43 02 00 00
{306} normal block at 0x0000024315875EC0, 8 bytes long.
Data: < j C > 20 6A 87 15 43 02 00 00
{297} normal block at 0x0000024315866A70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000024315875C40, 16 bytes long.
Data: < Y C > 18 59 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024315876640, 16 bytes long.
Data: < X C > F0 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002431586EDF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000024315876780, 16 bytes long.
Data: < X C > C8 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000243158760F0, 16 bytes long.
Data: < X C > A0 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000243158760A0, 16 bytes long.
Data: <xX C > 78 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024315875A60, 16 bytes long.
Data: <PX C > 50 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024315874F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000024315876460, 16 bytes long.
Data: <h C > 68 E8 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002431586F990, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000024315875E70, 16 bytes long.
Data: <@ C > 40 E8 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024315875E20, 16 bytes long.
Data: < C > 18 E8 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024315876870, 16 bytes long.
Data: < C > F0 E7 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024315875D80, 16 bytes long.
Data: < C > C8 E7 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024315876820, 16 bytes long.
Data: < C > A0 E7 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024315875DD0, 16 bytes long.
Data: <x C > 78 E7 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002431586EC70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000024315876730, 16 bytes long.
Data: <P C > 50 E7 86 15 43 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002431586E750, 320 bytes long.
Data: <0g C p C > 30 67 87 15 43 02 00 00 70 EC 86 15 43 02 00 00
{276} normal block at 0x00000243158763C0, 16 bytes long.
Data: <0X C > 30 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024315876050, 16 bytes long.
Data: < X C > 08 58 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002431586F6F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000024315876320, 16 bytes long.
Data: < W C > E0 57 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002431586F150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000243158769B0, 16 bytes long.
Data: <(W C > 28 57 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024315875B50, 16 bytes long.
Data: < W C > 00 57 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024315875AB0, 16 bytes long.
Data: < V C > D8 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000243158767D0, 16 bytes long.
Data: < V C > B0 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002431586FD80, 16 bytes long.
Data: < V C > 88 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002431586FC40, 16 bytes long.
Data: <`V C > 60 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024315870A50, 16 bytes long.
Data: <PP C > 50 50 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024315875050, 40 bytes long.
Data: <P C @ C > 50 0A 87 15 43 02 00 00 40 F5 85 15 43 02 00 00
{262} normal block at 0x0000024315870A00, 16 bytes long.
Data: <@V C > 40 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000243158702D0, 16 bytes long.
Data: < V C > 18 56 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002431586F5D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000243158708C0, 16 bytes long.
Data: < U C > F0 55 87 15 43 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000243158755F0, 992 bytes long.
Data: < C C > C0 08 87 15 43 02 00 00 D0 F5 86 15 43 02 00 00
{94} normal block at 0x000002431586F090, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002431586FD30, 16 bytes long.
Data: < C > E0 F0 85 15 43 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002431585F0E0, 40 bytes long.
Data: <0 C C > 30 FD 86 15 43 02 00 00 90 F0 86 15 43 02 00 00
{71} normal block at 0x00000243158701E0, 16 bytes long.
Data: < tx > 80 EA 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024315870000, 16 bytes long.
Data: <@ tx > 40 E9 74 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002431586FFB0, 16 bytes long.
Data: < Wqx > F8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024315870500, 16 bytes long.
Data: < Wqx > D8 57 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000243158700A0, 16 bytes long.
Data: <P qx > 50 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024315870190, 16 bytes long.
Data: <0 qx > 30 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024315870640, 16 bytes long.
Data: < qx > E0 02 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024315870460, 16 bytes long.
Data: < qx > 10 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002431586FBF0, 16 bytes long.
Data: <p qx > 70 04 71 78 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024315870960, 16 bytes long.
Data: < ox > 18 C0 6F 78 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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