Task 38679913
| Name | test_408-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND6092_0 |
| Workunit | 31621670 |
| Created | 26 Oct 2026, 22:10:46 UTC |
| Sent | 26 Oct 2026, 22:10:50 UTC |
| Report deadline | 31 Oct 2026, 22:10:50 UTC |
| Received | 26 Oct 2026, 23:44:05 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641471 |
| Run time | 30 min 31 sec |
| CPU time | 28 min 26 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 | 714.20 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:38:47 (26452): wrapper (7.9.26016): starting
22:38:47 (26452): 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
22:38:48 (26452): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:38:48 (26452): 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\13\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\13\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 0x000002165F81FDD0, 8 bytes long.
Data: < _ > 00 00 D0 5F 16 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x0000021661663CA0, 1080 bytes long.
Data: <,k > 2C 6B 00 00 CD CD CD CD F4 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002165F820D90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
23:14:22 (25052): wrapper (7.9.26016): starting
23:14:22 (25052): 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\13\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
23:42:57 (25052): C:/Windows/system32/cmd.exe exited; CPU time 1662.625000
23:42:57 (25052): 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: 29883493 bytes.
Dumping objects ->
{1598} normal block at 0x000002D964024960, 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 0x000002D964024D50, 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 0x000002D964024CE0, 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 0x000002D964024E30, 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 0x000002D964024C00, 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 0x000002D96400F540, 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 0x000002D9640268E0, 8 bytes long.
Data: < Ld > 00 00 4C 64 D9 02 00 00
{306} normal block at 0x000002D9640262A0, 8 bytes long.
Data: <Pi d > 50 69 02 64 D9 02 00 00
{297} normal block at 0x000002D964010500, 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 0x000002D964025A80, 16 bytes long.
Data: <HX d > 48 58 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002D964026890, 16 bytes long.
Data: < X d > 20 58 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002D96401F560, 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 0x000002D964026840, 16 bytes long.
Data: < W d > F8 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002D964025990, 16 bytes long.
Data: < W d > D0 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D964025F30, 16 bytes long.
Data: < W d > A8 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D9640261B0, 16 bytes long.
Data: < W d > 80 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002D964024C70, 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 0x000002D9640259E0, 16 bytes long.
Data: <x d > 78 C3 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D96401F860, 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 0x000002D964025D50, 16 bytes long.
Data: <P d > 50 C3 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002D964026160, 16 bytes long.
Data: <( d > 28 C3 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D9640267F0, 16 bytes long.
Data: < d > 00 C3 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002D964026570, 16 bytes long.
Data: < d > D8 C2 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002D9640267A0, 16 bytes long.
Data: < d > B0 C2 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D964025EE0, 16 bytes long.
Data: < d > 88 C2 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D96401F260, 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 0x000002D964025A30, 16 bytes long.
Data: <` d > 60 C2 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D96400C260, 320 bytes long.
Data: <0Z d ` d > 30 5A 02 64 D9 02 00 00 60 F2 01 64 D9 02 00 00
{276} normal block at 0x000002D964026070, 16 bytes long.
Data: <`W d > 60 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D964026750, 16 bytes long.
Data: <8W d > 38 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002D96401F620, 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 0x000002D964026390, 16 bytes long.
Data: < W d > 10 57 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002D96401F020, 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 0x000002D964025DF0, 16 bytes long.
Data: <XV d > 58 56 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D964026250, 16 bytes long.
Data: <0V d > 30 56 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002D964026110, 16 bytes long.
Data: < V d > 08 56 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D964025E90, 16 bytes long.
Data: < U d > E0 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002D964020700, 16 bytes long.
Data: < U d > B8 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D964020430, 16 bytes long.
Data: < U d > 90 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D964020160, 16 bytes long.
Data: < O d > F0 4F 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D964024FF0, 40 bytes long.
Data: <` d @ d > 60 01 02 64 D9 02 00 00 40 F5 00 64 D9 02 00 00
{262} normal block at 0x000002D9640200C0, 16 bytes long.
Data: <pU d > 70 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002D96401FEE0, 16 bytes long.
Data: <HU d > 48 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D96401F680, 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 0x000002D96401FA80, 16 bytes long.
Data: < U d > 20 55 02 64 D9 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002D964025520, 992 bytes long.
Data: < d d > 80 FA 01 64 D9 02 00 00 80 F6 01 64 D9 02 00 00
{94} normal block at 0x000002D96401ECC0, 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 0x000002D964020340, 16 bytes long.
Data: <@ d > 40 EC 00 64 D9 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002D96400EC40, 40 bytes long.
Data: <@ d d > 40 03 02 64 D9 02 00 00 C0 EC 01 64 D9 02 00 00
{71} normal block at 0x000002D9640207A0, 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 0x000002D96401FC60, 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 0x000002D964020750, 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 0x000002D96401FB20, 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 0x000002D96401FAD0, 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 0x000002D964020250, 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 0x000002D96401FF80, 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 0x000002D9640207F0, 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 0x000002D964020840, 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 0x000002D9640206B0, 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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