Task 38697368
| Name | test_187-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2606_0 |
| Workunit | 31637950 |
| Created | 1 Nov 2026, 13:23:23 UTC |
| Sent | 1 Nov 2026, 13:23:23 UTC |
| Report deadline | 6 Nov 2026, 13:23:23 UTC |
| Received | 1 Nov 2026, 15:32:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650016 |
| Run time | 43 min 17 sec |
| CPU time | 41 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 677.88 MB |
| Peak swap size | 6.75 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:30:22 (28948): wrapper (7.9.26016): starting
14:30:22 (28948): 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
14:30:23 (28948): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:30:23 (28948): 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) : {3835189} normal block at 0x000001D7B54C6C20, 8 bytes long.
Data: < > 00 00 FA B6 D7 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833950} normal block at 0x000001D7B7169B90, 1080 bytes long.
Data: < ; > 10 3B 00 00 CD CD CD CD 9C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001D7B54D08B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:19:43 (20276): wrapper (7.9.26016): starting
16:19:43 (20276): 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\0\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
16:32:34 (20276): C:/Windows/system32/cmd.exe exited; CPU time 740.671875
16:32:34 (20276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 13218881 bytes.
Dumping objects ->
{1628} normal block at 0x0000013C0B520040, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1617} normal block at 0x0000013C0B520200, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1606} normal block at 0x0000013C0B5200B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1595} normal block at 0x0000013C0B51FF60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1584} normal block at 0x0000013C0B51FFD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1553} normal block at 0x0000013C0B50ABE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1542} normal block at 0x0000013C0B50AB40, 85 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) : {1539} normal block at 0x0000013C0B522420, 8 bytes long.
Data: < < > 00 00 EE 0C 3C 01 00 00
{911} normal block at 0x0000013C0B50BAC0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x0000013C0B521A20, 8 bytes long.
Data: <P:R < > 50 3A 52 0B 3C 01 00 00
{292} normal block at 0x0000013C0B505CE0, 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 0x0000013C0B521FC0, 16 bytes long.
Data: <X9R < > 58 39 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000013C0B521ED0, 16 bytes long.
Data: <09R < > 30 39 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000013C0B51DAA0, 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 0x0000013C0B521C50, 16 bytes long.
Data: < 9R < > 08 39 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000013C0B5219D0, 16 bytes long.
Data: < 8R < > E0 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000013C0B521C00, 16 bytes long.
Data: < 8R < > B8 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000013C0B521D90, 16 bytes long.
Data: < 8R < > 90 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000013C0B5204A0, 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 0x0000013C0B521980, 16 bytes long.
Data: <x\P < > 78 5C 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000013C0B51CDE0, 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 0x0000013C0B521B10, 16 bytes long.
Data: <P\P < > 50 5C 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000013C0B521BB0, 16 bytes long.
Data: <(\P < > 28 5C 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000013C0B521930, 16 bytes long.
Data: < \P < > 00 5C 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000013C0B521700, 16 bytes long.
Data: < [P < > D8 5B 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000013C0B5216B0, 16 bytes long.
Data: < [P < > B0 5B 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000013C0B522380, 16 bytes long.
Data: < [P < > 88 5B 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000013C0B51D980, 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 0x0000013C0B521E80, 16 bytes long.
Data: <`[P < > 60 5B 50 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000013C0B505B60, 320 bytes long.
Data: < R < Q < > 80 1E 52 0B 3C 01 00 00 80 D9 51 0B 3C 01 00 00
{271} normal block at 0x0000013C0B522330, 16 bytes long.
Data: <p8R < > 70 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000013C0B521CF0, 16 bytes long.
Data: <H8R < > 48 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000013C0B51CF60, 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 0x0000013C0B522010, 16 bytes long.
Data: < 8R < > 20 38 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000013C0B51D3E0, 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 0x0000013C0B521E30, 16 bytes long.
Data: <h7R < > 68 37 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000013C0B521DE0, 16 bytes long.
Data: <@7R < > 40 37 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000013C0B522290, 16 bytes long.
Data: < 7R < > 18 37 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000013C0B521B60, 16 bytes long.
Data: < 6R < > F0 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000013C0B5218E0, 16 bytes long.
Data: < 6R < > C8 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000013C0B521D40, 16 bytes long.
Data: < 6R < > A0 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000013C0B522240, 16 bytes long.
Data: < R < > 90 01 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000013C0B520190, 40 bytes long.
Data: <@"R < P < > 40 22 52 0B 3C 01 00 00 E0 AB 50 0B 3C 01 00 00
{257} normal block at 0x0000013C0B5225B0, 16 bytes long.
Data: < 6R < > 80 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000013C0B5222E0, 16 bytes long.
Data: <X6R < > 58 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000013C0B51CEA0, 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 0x0000013C0B522560, 16 bytes long.
Data: <06R < > 30 36 52 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000013C0B523630, 992 bytes long.
Data: <`%R < Q < > 60 25 52 0B 3C 01 00 00 A0 CE 51 0B 3C 01 00 00
{89} normal block at 0x0000013C0B51D440, 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 0x0000013C0B516AF0, 16 bytes long.
Data: < Q < > F0 FE 51 0B 3C 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x0000013C0B51FEF0, 40 bytes long.
Data: < jQ < @ Q < > F0 6A 51 0B 3C 01 00 00 40 D4 51 0B 3C 01 00 00
{66} normal block at 0x0000013C0B516730, 16 bytes long.
Data: < > 80 EA 0F B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000013C0B517310, 16 bytes long.
Data: <@ > 40 E9 0F B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000013C0B517450, 16 bytes long.
Data: < W > F8 57 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000013C0B5166E0, 16 bytes long.
Data: < W > D8 57 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000013C0B516EB0, 16 bytes long.
Data: <P > 50 04 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000013C0B516B40, 16 bytes long.
Data: <0 > 30 04 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000013C0B516D20, 16 bytes long.
Data: < > E0 02 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000013C0B516E60, 16 bytes long.
Data: < > 10 04 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000013C0B517180, 16 bytes long.
Data: <p > 70 04 0C B3 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000013C0B516AA0, 16 bytes long.
Data: < > 18 C0 0A B3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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