Task 38681159
| Name | test_581-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3939_0 |
| Workunit | 31622840 |
| Created | 27 Oct 2026, 2:56:44 UTC |
| Sent | 27 Oct 2026, 2:56:55 UTC |
| Report deadline | 1 Nov 2026, 2:56:55 UTC |
| Received | 27 Oct 2026, 16:13:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 631132 |
| Run time | 29 min 22 sec |
| CPU time | 26 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.55 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:35:00 (32544): wrapper (7.9.26016): starting
22:35:00 (32544): 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
22:35:01 (32544): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:35:01 (32544): 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\2\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\2\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) : {3835434} normal block at 0x0000020AAB7BE780, 8 bytes long.
Data: < > 00 00 B4 AB 0A 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834056} normal block at 0x0000020AAD7341B0, 1080 bytes long.
Data: < w X > D8 77 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020AAB7C1290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:00:54 (32272): wrapper (7.9.26016): starting
01:00:54 (32272): 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\2\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
01:13:13 (32272): C:/Windows/system32/cmd.exe exited; CPU time 693.250000
01:13:13 (32272): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 12845146 bytes.
Dumping objects ->
{1772} normal block at 0x0000023F16F64CB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1761} normal block at 0x0000023F16F64B60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1750} normal block at 0x0000023F16F648C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1739} normal block at 0x0000023F16F64700, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1728} normal block at 0x0000023F16F64BD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1697} normal block at 0x0000023F16F4B5E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1686} normal block at 0x0000023F16F4E560, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1683} normal block at 0x0000023F16F65760, 8 bytes long.
Data: < E ? > 00 00 45 17 3F 02 00 00
{981} normal block at 0x0000023F16F4EEB0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x0000023F16F65A80, 8 bytes long.
Data: <`i ? > 60 69 F6 16 3F 02 00 00
{297} normal block at 0x0000023F16F567B0, 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 0x0000023F16F660C0, 16 bytes long.
Data: <hh ? > 68 68 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023F16F65800, 16 bytes long.
Data: <@h ? > 40 68 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023F16F5FB60, 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 0x0000023F16F65AD0, 16 bytes long.
Data: < h ? > 18 68 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023F16F65670, 16 bytes long.
Data: < g ? > F0 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000023F16F66070, 16 bytes long.
Data: < g ? > C8 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023F16F65B70, 16 bytes long.
Data: < g ? > A0 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023F16F649A0, 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 0x0000023F16F66430, 16 bytes long.
Data: <x ? > 78 B5 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023F16F604C0, 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 0x0000023F16F65A30, 16 bytes long.
Data: <P ? > 50 B5 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023F16F65DA0, 16 bytes long.
Data: <( ? > 28 B5 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023F16F65620, 16 bytes long.
Data: < ? > 00 B5 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023F16F65F30, 16 bytes long.
Data: < ? > D8 B4 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023F16F66390, 16 bytes long.
Data: < ? > B0 B4 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023F16F662F0, 16 bytes long.
Data: < ? > 88 B4 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023F16F60040, 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 0x0000023F16F65710, 16 bytes long.
Data: <` ? > 60 B4 F4 16 3F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023F16F4B460, 320 bytes long.
Data: < W ? @ ? > 10 57 F6 16 3F 02 00 00 40 00 F6 16 3F 02 00 00
{276} normal block at 0x0000023F16F66480, 16 bytes long.
Data: < g ? > 80 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023F16F659E0, 16 bytes long.
Data: <Xg ? > 58 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023F16F600A0, 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 0x0000023F16F65EE0, 16 bytes long.
Data: <0g ? > 30 67 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023F16F5FC20, 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 0x0000023F16F65990, 16 bytes long.
Data: <xf ? > 78 66 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023F16F65940, 16 bytes long.
Data: <Pf ? > 50 66 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023F16F655D0, 16 bytes long.
Data: <(f ? > 28 66 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023F16F66340, 16 bytes long.
Data: < f ? > 00 66 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023F16F664D0, 16 bytes long.
Data: < e ? > D8 65 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023F16F65580, 16 bytes long.
Data: < e ? > B0 65 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023F16F656C0, 16 bytes long.
Data: <@L ? > 40 4C F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000023F16F64C40, 40 bytes long.
Data: < V ? ? > C0 56 F6 16 3F 02 00 00 E0 B5 F4 16 3F 02 00 00
{262} normal block at 0x0000023F16F65E40, 16 bytes long.
Data: < e ? > 90 65 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023F16F658F0, 16 bytes long.
Data: <he ? > 68 65 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023F16F60400, 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 0x0000023F16F663E0, 16 bytes long.
Data: <@e ? > 40 65 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023F16F66540, 992 bytes long.
Data: < c ? ? > E0 63 F6 16 3F 02 00 00 00 04 F6 16 3F 02 00 00
{94} normal block at 0x0000023F16F5FA40, 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 0x0000023F16F5F4F0, 16 bytes long.
Data: <pG ? > 70 47 F6 16 3F 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000023F16F64770, 40 bytes long.
Data: < ? @ ? > F0 F4 F5 16 3F 02 00 00 40 FA F5 16 3F 02 00 00
{69} normal block at 0x0000023F16F5F450, 16 bytes long.
Data: < > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000023F16F5F360, 16 bytes long.
Data: <@ > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023F16F5E870, 16 bytes long.
Data: < W > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000023F16F5F540, 16 bytes long.
Data: < W > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023F16F5F400, 16 bytes long.
Data: <P > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000023F16F5F1D0, 16 bytes long.
Data: <0 > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023F16F5E960, 16 bytes long.
Data: < > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023F16F5E910, 16 bytes long.
Data: < > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023F16F5E8C0, 16 bytes long.
Data: <p > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023F16F5F180, 16 bytes long.
Data: < > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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