Task 38664389
| Name | test_55-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9258_0 |
| Workunit | 31607543 |
| Created | 24 Oct 2026, 23:33:27 UTC |
| Sent | 24 Oct 2026, 23:33:44 UTC |
| Report deadline | 29 Oct 2026, 23:33:44 UTC |
| Received | 25 Oct 2026, 3:03:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653804 |
| Run time | 37 min 43 sec |
| CPU time | 36 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.02 MB |
| Peak swap size | 5.35 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:41:20 (10416): wrapper (7.9.26016): starting
19:41:20 (10416): 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
19:41:21 (10416): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:41:21 (10416): 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\4\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\4\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) : {3835188} normal block at 0x000002A4EF3FDEA0, 8 bytes long.
Data: < > 00 00 A0 EF A4 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833962} normal block at 0x000002A4EF4DE610, 1080 bytes long.
Data: <<[ > 3C 5B 00 00 CD CD CD CD E8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A4EF401ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
21:42:00 (15948): wrapper (7.9.26016): starting
21:42:00 (15948): 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\4\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
22:02:47 (15948): C:/Windows/system32/cmd.exe exited; CPU time 1213.343750
22:02:47 (15948): 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: 26589974 bytes.
Dumping objects ->
{1620} normal block at 0x00000133CBCD5520, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1609} normal block at 0x00000133CBCD5440, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1598} normal block at 0x00000133CBCD56E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1587} normal block at 0x00000133CBCD5280, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x00000133CBCD5210, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1545} normal block at 0x00000133CBCCF100, 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) : {1532} normal block at 0x00000133CBCD61B0, 8 bytes long.
Data: < 3 > 00 00 1A CC 33 01 00 00
{307} normal block at 0x00000133CBCD60C0, 8 bytes long.
Data: <@p 3 > 40 70 CD CB 33 01 00 00
{298} normal block at 0x00000133CBCC66A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000133CBCD62F0, 16 bytes long.
Data: <Ho 3 > 48 6F CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000133CBCD66B0, 16 bytes long.
Data: < o 3 > 20 6F CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000133CBCD0400, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000133CBCD6160, 16 bytes long.
Data: < n 3 > F8 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000133CBCD67A0, 16 bytes long.
Data: < n 3 > D0 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000133CBCD69D0, 16 bytes long.
Data: < n 3 > A8 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000133CBCD6070, 16 bytes long.
Data: < n 3 > 80 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000133CBCD53D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000133CBCD5F80, 16 bytes long.
Data: <( 3 > 28 95 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000133CBCD0100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000133CBCD65C0, 16 bytes long.
Data: < 3 > 00 95 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000133CBCD62A0, 16 bytes long.
Data: < 3 > D8 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000133CBCD5EE0, 16 bytes long.
Data: < 3 > B0 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000133CBCD6B60, 16 bytes long.
Data: < 3 > 88 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000133CBCD6340, 16 bytes long.
Data: <` 3 > 60 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000133CBCD5DA0, 16 bytes long.
Data: <8 3 > 38 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000133CBCCFF80, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000133CBCD68E0, 16 bytes long.
Data: < 3 > 10 94 CC CB 33 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000133CBCC9410, 320 bytes long.
Data: < h 3 3 > E0 68 CD CB 33 01 00 00 80 FF CC CB 33 01 00 00
{277} normal block at 0x00000133CBCD5F30, 16 bytes long.
Data: <`n 3 > 60 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000133CBCD5D50, 16 bytes long.
Data: <8n 3 > 38 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000133CBCCFD40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000133CBCD5CB0, 16 bytes long.
Data: < n 3 > 10 6E CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000133CBCD03A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000133CBCD6480, 16 bytes long.
Data: <Xm 3 > 58 6D CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000133CBCD5FD0, 16 bytes long.
Data: <0m 3 > 30 6D CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000133CBCD6700, 16 bytes long.
Data: < m 3 > 08 6D CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000133CBCD5C60, 16 bytes long.
Data: < l 3 > E0 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000133CBCD6890, 16 bytes long.
Data: < l 3 > B8 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000133CBCD6B10, 16 bytes long.
Data: < l 3 > 90 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000133CBCD6AC0, 16 bytes long.
Data: < Q 3 > A0 51 CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000133CBCD51A0, 40 bytes long.
Data: < j 3 3 > C0 6A CD CB 33 01 00 00 00 F1 CC CB 33 01 00 00
{263} normal block at 0x00000133CBCD5E40, 16 bytes long.
Data: <pl 3 > 70 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000133CBCD6020, 16 bytes long.
Data: <Hl 3 > 48 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000133CBCCFE00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000133CBCD5E90, 16 bytes long.
Data: < l 3 > 20 6C CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000133CBCD6C20, 992 bytes long.
Data: < ^ 3 3 > 90 5E CD CB 33 01 00 00 00 FE CC CB 33 01 00 00
{95} normal block at 0x00000133CBCCFA40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000133CBCCE580, 16 bytes long.
Data: <pV 3 > 70 56 CD CB 33 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000133CBCD5670, 40 bytes long.
Data: < 3 @ 3 > 80 E5 CC CB 33 01 00 00 40 FA CC CB 33 01 00 00
{72} normal block at 0x00000133CBCCD900, 16 bytes long.
Data: < 7 > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000133CBCCDC70, 16 bytes long.
Data: <@ 7 > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000133CBCCDAE0, 16 bytes long.
Data: < W4 > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000133CBCCDE50, 16 bytes long.
Data: < W4 > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000133CBCCD810, 16 bytes long.
Data: <P 4 > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000133CBCCE4E0, 16 bytes long.
Data: <0 4 > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000133CBCCDA40, 16 bytes long.
Data: < 4 > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000133CBCCD9F0, 16 bytes long.
Data: < 4 > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000133CBCCDFE0, 16 bytes long.
Data: <p 4 > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000133CBCCDE00, 16 bytes long.
Data: < 2 > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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