Task 38699659
| Name | test_72-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9790_0 |
| Workunit | 31640040 |
| Created | 5 Nov 2026, 2:26:21 UTC |
| Sent | 5 Nov 2026, 2:26:25 UTC |
| Report deadline | 10 Nov 2026, 2:26:25 UTC |
| Received | 5 Nov 2026, 4:45:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630239 |
| Run time | 1 hours 46 min 42 sec |
| CPU time | 1 hours 40 min 58 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.70 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:31:54 (64400): wrapper (7.9.26016): starting
11:31:54 (64400): 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
11:31:55 (64400): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:31:55 (64400): 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\25\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\25\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) : {3835471} normal block at 0x0000025DDAEFE400, 8 bytes long.
Data: < B ] > 00 00 42 DB 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834072} normal block at 0x0000025DDAF04EE0, 1080 bytes long.
Data: < > FC C2 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025DDAF01970, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
11:42:12 (70576): wrapper (7.9.26016): starting
11:42:12 (70576): 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\25\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) : {1708} normal block at 0x00000201751B6700, 8 bytes long.
Data: < u > 00 00 12 75 01 02 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x00000201751B7510, 1080 bytes long.
Data: < P > CC C7 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:58:15 (55004): wrapper (7.9.26016): starting
12:58:15 (55004): 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\25\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) : {1708} normal block at 0x000001998FBA6760, 8 bytes long.
Data: < > 00 00 B3 8F 99 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001998FBA7750, 1080 bytes long.
Data: < H > B8 94 00 00 CD CD CD CD 48 01 00 00 00 00 00 00
Object dump complete.
13:31:22 (27120): wrapper (7.9.26016): starting
13:31:22 (27120): 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\25\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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:45:08 (27120): C:/Windows/system32/cmd.exe exited; CPU time 742.359375
13:45:08 (27120): 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: 17249537 bytes.
Dumping objects ->
{1796} normal block at 0x00000111BFE256C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1785} normal block at 0x00000111BFE25650, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1774} normal block at 0x00000111BFE25490, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1763} normal block at 0x00000111BFE255E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1752} normal block at 0x00000111BFE25A40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1721} normal block at 0x00000111BFE0DA40, 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) : {1708} normal block at 0x00000111BFE265A0, 8 bytes long.
Data: < / > 00 00 2F C0 11 01 00 00
{310} normal block at 0x00000111BFE26B40, 8 bytes long.
Data: < v > 80 76 E2 BF 11 01 00 00
{301} normal block at 0x00000111BFE174F0, 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 0x00000111BFE26E60, 16 bytes long.
Data: < u > 88 75 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000111BFE26500, 16 bytes long.
Data: <`u > 60 75 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000111BFE20400, 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 0x00000111BFE26550, 16 bytes long.
Data: <8u > 38 75 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000111BFE264B0, 16 bytes long.
Data: < u > 10 75 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000111BFE268C0, 16 bytes long.
Data: < t > E8 74 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000111BFE26CD0, 16 bytes long.
Data: < t > C0 74 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000111BFE25880, 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 0x00000111BFE26C80, 16 bytes long.
Data: < > 98 F6 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000111BFE20460, 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 0x00000111BFE265F0, 16 bytes long.
Data: <p > 70 F6 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000111BFE26320, 16 bytes long.
Data: <H > 48 F6 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000111BFE26E10, 16 bytes long.
Data: < > 20 F6 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000111BFE262D0, 16 bytes long.
Data: < > F8 F5 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000111BFE26280, 16 bytes long.
Data: < > D0 F5 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000111BFE26460, 16 bytes long.
Data: < > A8 F5 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000111BFE20220, 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 0x00000111BFE26410, 16 bytes long.
Data: < > 80 F5 E1 BF 11 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000111BFE1F580, 320 bytes long.
Data: < d > 10 64 E2 BF 11 01 00 00 20 02 E2 BF 11 01 00 00
{280} normal block at 0x00000111BFE26A50, 16 bytes long.
Data: < t > A0 74 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000111BFE26B90, 16 bytes long.
Data: <xt > 78 74 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000111BFE1FCE0, 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 0x00000111BFE26230, 16 bytes long.
Data: <Pt > 50 74 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000111BFE1FB00, 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 0x00000111BFE26C30, 16 bytes long.
Data: < s > 98 73 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000111BFE26FF0, 16 bytes long.
Data: <ps > 70 73 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000111BFE26AF0, 16 bytes long.
Data: <Hs > 48 73 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000111BFE26820, 16 bytes long.
Data: < s > 20 73 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000111BFE261E0, 16 bytes long.
Data: < r > F8 72 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000111BFE263C0, 16 bytes long.
Data: < r > D0 72 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000111BFE267D0, 16 bytes long.
Data: < T > 20 54 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000111BFE25420, 40 bytes long.
Data: < g @ > D0 67 E2 BF 11 01 00 00 40 DA E0 BF 11 01 00 00
{266} normal block at 0x00000111BFE26370, 16 bytes long.
Data: < r > B0 72 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000111BFE26780, 16 bytes long.
Data: < r > 88 72 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000111BFE203A0, 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 0x00000111BFE26AA0, 16 bytes long.
Data: <`r > 60 72 E2 BF 11 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000111BFE27260, 992 bytes long.
Data: < j > A0 6A E2 BF 11 01 00 00 A0 03 E2 BF 11 01 00 00
{98} normal block at 0x00000111BFE202E0, 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 0x00000111BFE1E720, 16 bytes long.
Data: <@ > 40 E7 E0 BF 11 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000111BFE0E740, 40 bytes long.
Data: < > 20 E7 E1 BF 11 01 00 00 E0 02 E2 BF 11 01 00 00
{73} normal block at 0x00000111BFE1E4F0, 16 bytes long.
Data: < Y > 80 EA B4 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000111BFE1E590, 16 bytes long.
Data: <@ Y > 40 E9 B4 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000111BFE1E810, 16 bytes long.
Data: < W Y > F8 57 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000111BFE1DF50, 16 bytes long.
Data: < W Y > D8 57 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000111BFE1E770, 16 bytes long.
Data: <P Y > 50 04 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000111BFE1E5E0, 16 bytes long.
Data: <0 Y > 30 04 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000111BFE1E4A0, 16 bytes long.
Data: < Y > E0 02 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000111BFE1E2C0, 16 bytes long.
Data: < Y > 10 04 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000111BFE1E450, 16 bytes long.
Data: <p Y > 70 04 B1 59 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000111BFE1E180, 16 bytes long.
Data: < Y > 18 C0 AF 59 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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