Task 38683048
| Name | test_916-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND2336_0 |
| Workunit | 31624630 |
| Created | 27 Oct 2026, 10:12:40 UTC |
| Sent | 27 Oct 2026, 10:12:47 UTC |
| Report deadline | 1 Nov 2026, 10:12:47 UTC |
| Received | 27 Oct 2026, 22:43:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642945 |
| Run time | 39 min 4 sec |
| CPU time | 39 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 678.78 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.76 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:14:51 (55580): wrapper (7.9.26016): starting
19:14:51 (55580): 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
19:14:52 (55580): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:14:52 (55580): 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\14\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\14\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) : {3835275} normal block at 0x0000020E3ED6DD80, 8 bytes long.
Data: < %? > 00 00 25 3F 0E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000020E40E731B0, 1080 bytes long.
Data: <t > 74 04 00 00 CD CD CD CD 80 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000020E3ED72010, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
19:23:17 (15216): wrapper (7.9.26016): starting
19:23:17 (15216): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\14\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x0000020A619864D0, 8 bytes long.
Data: < a > 00 00 E3 61 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x0000020A61985720, 1080 bytes long.
Data: <,3 P > 2C 33 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
19:39:22 (47764): wrapper (7.9.26016): starting
19:39:22 (47764): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\14\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1512} normal block at 0x00000247B55960F0, 8 bytes long.
Data: < G > 00 00 A4 B5 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000247B5595A20, 1080 bytes long.
Data: < H > D4 C8 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
07:21:44 (41156): wrapper (7.9.26016): starting
07:21:44 (41156): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ C:\ProgramData\BOINC\slots\14\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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: Exiting with failure status due to previous errors
07:42:30 (41156): C:/Windows/system32/cmd.exe exited; CPU time 1166.984375
07:42:30 (41156): 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: 31052435 bytes.
Dumping objects ->
{1600} normal block at 0x00000229BE7148F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1589} normal block at 0x00000229BE7145E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1578} normal block at 0x00000229BE714730, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1567} normal block at 0x00000229BE7147A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1556} normal block at 0x00000229BE7146C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1525} normal block at 0x00000229BE6FEB90, 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) : {1512} normal block at 0x00000229BE716740, 8 bytes long.
Data: < n ) > 00 00 6E BE 29 02 00 00
{310} normal block at 0x00000229BE716010, 8 bytes long.
Data: < sq ) > 00 73 71 BE 29 02 00 00
{301} normal block at 0x00000229BE706CA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000229BE716240, 16 bytes long.
Data: < rq ) > 08 72 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000229BE716BA0, 16 bytes long.
Data: < qq ) > E0 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000229BE70F880, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000229BE7164C0, 16 bytes long.
Data: < qq ) > B8 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000229BE7168D0, 16 bytes long.
Data: < qq ) > 90 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000229BE716420, 16 bytes long.
Data: <hqq ) > 68 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000229BE7163D0, 16 bytes long.
Data: <@qq ) > 40 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000229BE714490, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000229BE7167E0, 16 bytes long.
Data: < p ) > E8 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000229BE7104E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000229BE716380, 16 bytes long.
Data: < p ) > C0 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000229BE716CE0, 16 bytes long.
Data: < p ) > 98 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000229BE7166F0, 16 bytes long.
Data: <p p ) > 70 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000229BE715FC0, 16 bytes long.
Data: <H p ) > 48 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000229BE715F20, 16 bytes long.
Data: < p ) > 20 98 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000229BE716E20, 16 bytes long.
Data: < p ) > F8 97 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000229BE7101E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000229BE716880, 16 bytes long.
Data: < p ) > D0 97 70 BE 29 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000229BE7097D0, 320 bytes long.
Data: < hq ) q ) > 80 68 71 BE 29 02 00 00 E0 01 71 BE 29 02 00 00
{280} normal block at 0x00000229BE716100, 16 bytes long.
Data: < qq ) > 20 71 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000229BE716330, 16 bytes long.
Data: < pq ) > F8 70 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000229BE70FFA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000229BE716920, 16 bytes long.
Data: < pq ) > D0 70 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000229BE710780, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000229BE715F70, 16 bytes long.
Data: < pq ) > 18 70 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000229BE716C90, 16 bytes long.
Data: < oq ) > F0 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000229BE716970, 16 bytes long.
Data: < oq ) > C8 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000229BE716600, 16 bytes long.
Data: < oq ) > A0 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000229BE7166A0, 16 bytes long.
Data: <xoq ) > 78 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000229BE716DD0, 16 bytes long.
Data: <Poq ) > 50 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000229BE716470, 16 bytes long.
Data: < Hq ) > 80 48 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000229BE714880, 40 bytes long.
Data: <pdq ) o ) > 70 64 71 BE 29 02 00 00 90 EB 6F BE 29 02 00 00
{266} normal block at 0x00000229BE716B50, 16 bytes long.
Data: <0oq ) > 30 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000229BE716D80, 16 bytes long.
Data: < oq ) > 08 6F 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000229BE7106C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000229BE716510, 16 bytes long.
Data: < nq ) > E0 6E 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000229BE716EE0, 992 bytes long.
Data: < eq ) q ) > 10 65 71 BE 29 02 00 00 C0 06 71 BE 29 02 00 00
{98} normal block at 0x00000229BE710600, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000229BE70DC20, 16 bytes long.
Data: <PFq ) > 50 46 71 BE 29 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000229BE714650, 40 bytes long.
Data: < p ) q ) > 20 DC 70 BE 29 02 00 00 00 06 71 BE 29 02 00 00
{73} normal block at 0x00000229BE70DB80, 16 bytes long.
Data: < b > 80 EA 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000229BE70E210, 16 bytes long.
Data: <@ b > 40 E9 62 B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000229BE70E3F0, 16 bytes long.
Data: < W_ > F8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000229BE70E670, 16 bytes long.
Data: < W_ > D8 57 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000229BE70E760, 16 bytes long.
Data: <P _ > 50 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000229BE70E8A0, 16 bytes long.
Data: <0 _ > 30 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000229BE70E1C0, 16 bytes long.
Data: < _ > E0 02 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000229BE70E170, 16 bytes long.
Data: < _ > 10 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000229BE70E7B0, 16 bytes long.
Data: <p _ > 70 04 5F B9 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000229BE70DEA0, 16 bytes long.
Data: < ] > 18 C0 5D B9 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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