Task 38658577
| Name | test_989-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND8167_0 |
| Workunit | 31602153 |
| Created | 24 Oct 2026, 12:49:05 UTC |
| Sent | 24 Oct 2026, 13:48:41 UTC |
| Report deadline | 29 Oct 2026, 13:48:41 UTC |
| Received | 24 Oct 2026, 21:41:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649275 |
| Run time | 39 min 25 sec |
| CPU time | 34 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,441.05 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.99 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:46:58 (19080): wrapper (7.9.26016): starting
07:46:58 (19080): 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
07:47:00 (19080): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:47:00 (19080): 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.
08:41:05 (2088): Can't acquire lockfile (32) - waiting 35s
08:41:40 (2088): wrapper (7.9.26016): starting
08:41:40 (2088): 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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1507} normal block at 0x00000222AEA34780, 8 bytes long.
Data: < " > 00 00 E1 AE 22 02 00 00
..\lib\diagnostics_win.cpp(417) : {302} normal block at 0x00000222AEA36310, 1080 bytes long.
Data: <pI 4 > 70 49 00 00 CD CD CD CD 34 01 00 00 00 00 00 00
Object dump complete.
09:41:06 (16152): wrapper (7.9.26016): starting
09:41:06 (16152): 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
09:48:12 (16152): C:/Windows/system32/cmd.exe exited; CPU time 376.062500
09:48:12 (16152): 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: 6490422 bytes.
Dumping objects ->
{1593} normal block at 0x00000194C8F56260, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1582} normal block at 0x00000194C8F562D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1571} normal block at 0x00000194C8F56030, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1560} normal block at 0x00000194C8F55EE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1549} normal block at 0x00000194C8F55CB0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1518} normal block at 0x00000194C8F542E0, 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) : {1505} normal block at 0x00000194C8F54870, 8 bytes long.
Data: < , > 00 00 2C C9 94 01 00 00
{303} normal block at 0x00000194C8F54820, 8 bytes long.
Data: <`> > 60 3E F5 C8 94 01 00 00
{294} normal block at 0x00000194C8F4D8C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x00000194C8F544B0, 16 bytes long.
Data: < Z > F8 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000194C8F54D20, 16 bytes long.
Data: < Z > D0 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000194C8F4FBB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x00000194C8F55180, 16 bytes long.
Data: < Z > A8 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000194C8F54CD0, 16 bytes long.
Data: < Z > 80 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000194C8F54690, 16 bytes long.
Data: <XZ > 58 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000194C8F545F0, 16 bytes long.
Data: <0Z > 30 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000194C8F56340, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x00000194C8F547D0, 16 bytes long.
Data: < > 18 B4 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000194C8F4F250, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x00000194C8F54460, 16 bytes long.
Data: < > F0 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000194C8F55310, 16 bytes long.
Data: < > C8 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000194C8F54C80, 16 bytes long.
Data: < > A0 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000194C8F54780, 16 bytes long.
Data: <x > 78 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000194C8F54B90, 16 bytes long.
Data: <P > 50 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000194C8F54410, 16 bytes long.
Data: <( > 28 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000194C8F4FA30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x00000194C8F54C30, 16 bytes long.
Data: < > 00 B3 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000194C8F3B300, 320 bytes long.
Data: <0L 0 > 30 4C F5 C8 94 01 00 00 30 FA F4 C8 94 01 00 00
{273} normal block at 0x00000194C8F552C0, 16 bytes long.
Data: < Z > 10 5A F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000194C8F54500, 16 bytes long.
Data: < Y > E8 59 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000194C8F4EE90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x00000194C8F546E0, 16 bytes long.
Data: < Y > C0 59 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000194C8F4F8B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x00000194C8F548C0, 16 bytes long.
Data: < Y > 08 59 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000194C8F54640, 16 bytes long.
Data: < X > E0 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000194C8F54550, 16 bytes long.
Data: < X > B8 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000194C8F54B40, 16 bytes long.
Data: < X > 90 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000194C8F55270, 16 bytes long.
Data: <hX > 68 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000194C8F55360, 16 bytes long.
Data: <@X > 40 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000194C8F54BE0, 16 bytes long.
Data: < > 00 CD F4 C8 94 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000194C8F4CD00, 40 bytes long.
Data: < K B > E0 4B F5 C8 94 01 00 00 E0 42 F5 C8 94 01 00 00
{259} normal block at 0x00000194C8F550E0, 16 bytes long.
Data: < X > 20 58 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000194C8F54730, 16 bytes long.
Data: < W > F8 57 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000194C8F4EFB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x00000194C8F545A0, 16 bytes long.
Data: < W > D0 57 F5 C8 94 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000194C8F557D0, 992 bytes long.
Data: < E > A0 45 F5 C8 94 01 00 00 B0 EF F4 C8 94 01 00 00
{91} normal block at 0x00000194C8F4F370, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x00000194C8F4DE70, 16 bytes long.
Data: <` > 60 D7 F3 C8 94 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x00000194C8F3D760, 40 bytes long.
Data: <p p > 70 DE F4 C8 94 01 00 00 70 F3 F4 C8 94 01 00 00
{68} normal block at 0x00000194C8F4DF60, 16 bytes long.
Data: < r > 80 EA 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000194C8F4EB40, 16 bytes long.
Data: <@ r > 40 E9 93 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000194C8F4E0F0, 16 bytes long.
Data: < W r > F8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000194C8F4E820, 16 bytes long.
Data: < W r > D8 57 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000194C8F4E640, 16 bytes long.
Data: <P r > 50 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000194C8F4E500, 16 bytes long.
Data: <0 r > 30 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000194C8F4E320, 16 bytes long.
Data: < r > E0 02 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000194C8F4EB90, 16 bytes long.
Data: < r > 10 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000194C8F4E460, 16 bytes long.
Data: <p r > 70 04 90 72 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000194C8F4EAA0, 16 bytes long.
Data: < r > 18 C0 8E 72 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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