Task 38687187
| Name | test_363-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1539_0 |
| Workunit | 31628585 |
| Created | 28 Oct 2026, 6:26:24 UTC |
| Sent | 28 Oct 2026, 6:26:26 UTC |
| Report deadline | 2 Nov 2026, 6:26:26 UTC |
| Received | 28 Oct 2026, 13:23:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631520 |
| Run time | 35 min 53 sec |
| CPU time | 33 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,608.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 701.28 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:30:47 (20636): wrapper (7.9.26016): starting
15:30:47 (20636): 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
15:30:49 (20636): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:30:49 (20636): 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\0\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\0\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) : {3835180} normal block at 0x0000028190F80B80, 8 bytes long.
Data: < > 00 00 F3 90 81 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x0000028192E1E3B0, 1080 bytes long.
Data: < , T > 20 2C 00 00 CD CD CD CD 54 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000028190F75E90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:56:42 (14320): wrapper (7.9.26016): starting
21:56:42 (14320): 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\0\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
22:10:09 (14320): C:/Windows/system32/cmd.exe exited; CPU time 779.625000
22:10:09 (14320): 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: 14993532 bytes.
Dumping objects ->
{1532} normal block at 0x0000019AEB5947B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1521} normal block at 0x0000019AEB594970, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1510} normal block at 0x0000019AEB5949E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1499} normal block at 0x0000019AEB5946D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1488} normal block at 0x0000019AEB594660, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1457} normal block at 0x0000019AEB57E1E0, 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) : {1444} normal block at 0x0000019AEB5959F0, 8 bytes long.
Data: < U > 00 00 55 EB 9A 01 00 00
{301} normal block at 0x0000019AEB595F90, 8 bytes long.
Data: < gY > 90 67 59 EB 9A 01 00 00
{292} normal block at 0x0000019AEB587400, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x0000019AEB595810, 16 bytes long.
Data: < fY > 98 66 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019AEB595450, 16 bytes long.
Data: <pfY > 70 66 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019AEB58F6A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x0000019AEB5959A0, 16 bytes long.
Data: <HfY > 48 66 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019AEB595D10, 16 bytes long.
Data: < fY > 20 66 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019AEB5960D0, 16 bytes long.
Data: < eY > F8 65 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019AEB595E50, 16 bytes long.
Data: < eY > D0 65 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019AEB594820, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x0000019AEB5962B0, 16 bytes long.
Data: < X > A8 9E 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019AEB58FC40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x0000019AEB595540, 16 bytes long.
Data: < X > 80 9E 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019AEB596210, 16 bytes long.
Data: <X X > 58 9E 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019AEB595900, 16 bytes long.
Data: <0 X > 30 9E 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019AEB595C20, 16 bytes long.
Data: < X > 08 9E 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019AEB5953B0, 16 bytes long.
Data: < X > E0 9D 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019AEB5961C0, 16 bytes long.
Data: < X > B8 9D 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019AEB58F3A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x0000019AEB595CC0, 16 bytes long.
Data: < X > 90 9D 58 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019AEB589D90, 320 bytes long.
Data: < \Y X > C0 5C 59 EB 9A 01 00 00 A0 F3 58 EB 9A 01 00 00
{271} normal block at 0x0000019AEB5954F0, 16 bytes long.
Data: < eY > B0 65 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019AEB595B80, 16 bytes long.
Data: < eY > 88 65 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019AEB58FBE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x0000019AEB595E00, 16 bytes long.
Data: <`eY > 60 65 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019AEB58F5E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x0000019AEB595680, 16 bytes long.
Data: < dY > A8 64 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019AEB595950, 16 bytes long.
Data: < dY > 80 64 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019AEB596080, 16 bytes long.
Data: <XdY > 58 64 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019AEB596030, 16 bytes long.
Data: <0dY > 30 64 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019AEB5957C0, 16 bytes long.
Data: < dY > 08 64 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019AEB595FE0, 16 bytes long.
Data: < cY > E0 63 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019AEB596170, 16 bytes long.
Data: < IY > 00 49 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019AEB594900, 40 bytes long.
Data: <paY W > 70 61 59 EB 9A 01 00 00 E0 E1 57 EB 9A 01 00 00
{257} normal block at 0x0000019AEB595BD0, 16 bytes long.
Data: < cY > C0 63 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019AEB596300, 16 bytes long.
Data: < cY > 98 63 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019AEB58FE80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x0000019AEB596120, 16 bytes long.
Data: <pcY > 70 63 59 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019AEB596370, 992 bytes long.
Data: < aY X > 20 61 59 EB 9A 01 00 00 80 FE 58 EB 9A 01 00 00
{89} normal block at 0x0000019AEB58F580, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000019AEB590BE0, 16 bytes long.
Data: <@ W > 40 C4 57 EB 9A 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000019AEB57C440, 40 bytes long.
Data: < Y X > E0 0B 59 EB 9A 01 00 00 80 F5 58 EB 9A 01 00 00
{64} normal block at 0x0000019AEB590AA0, 16 bytes long.
Data: < f > 80 EA 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019AEB5904B0, 16 bytes long.
Data: <@ f > 40 E9 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019AEB591130, 16 bytes long.
Data: < Wc > F8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019AEB590550, 16 bytes long.
Data: < Wc > D8 57 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019AEB590D20, 16 bytes long.
Data: <P c > 50 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019AEB5905A0, 16 bytes long.
Data: <0 c > 30 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000019AEB590CD0, 16 bytes long.
Data: < c > E0 02 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000019AEB591040, 16 bytes long.
Data: < c > 10 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000019AEB590FF0, 16 bytes long.
Data: <p c > 70 04 63 93 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000019AEB590320, 16 bytes long.
Data: < a > 18 C0 61 93 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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