Task 38700123
| Name | test_707-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0380_1 |
| Workunit | 31640449 |
| Created | 7 Nov 2026, 3:41:27 UTC |
| Sent | 7 Nov 2026, 3:41:30 UTC |
| Report deadline | 12 Nov 2026, 3:41:30 UTC |
| Received | 7 Nov 2026, 15:56:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 550371 |
| Run time | 44 min 50 sec |
| CPU time | 42 min 32 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,741.16 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 709.00 MB |
| Peak swap size | 12.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:55:57 (22656): wrapper (7.9.26016): starting
22:55:57 (22656): 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
22:55:59 (22656): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:55:59 (22656): 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 'D:\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 'D:\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.
23:03:24 (22656): C:/Windows/system32/cmd.exe exited; CPU time 415.781250
23:03:24 (22656): app exit status: 0x16
23:03:24 (22656): called boinc_finish(195)
10:18:30 (6292): wrapper (7.9.26016): starting
10:18:30 (6292): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file D:\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
10:55:41 (6292): C:/Windows/system32/cmd.exe exited; CPU time 2210.859375
10:55:41 (6292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 41220376 bytes.
Dumping objects ->
{1649} normal block at 0x0000029FE5DB50F0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1638} normal block at 0x0000029FE5DB4BB0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1627} normal block at 0x0000029FE5DB5080, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1616} normal block at 0x0000029FE5DB4FA0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1605} normal block at 0x0000029FE5DB4DE0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1574} normal block at 0x0000029FE5D9F590, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1563} normal block at 0x0000029FE5D9D550, 139 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) : {1560} normal block at 0x0000029FE5DB6040, 8 bytes long.
Data: < * > 00 00 2A E6 9F 02 00 00
{932} normal block at 0x0000029FE5D9E610, 139 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{313} normal block at 0x0000029FE5DB5FF0, 8 bytes long.
Data: < l > F0 6C DB E5 9F 02 00 00
{304} normal block at 0x0000029FE5DA6B20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x0000029FE5DB5960, 16 bytes long.
Data: < k > F8 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000029FE5DB5FA0, 16 bytes long.
Data: < k > D0 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x0000029FE5DAF570, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x0000029FE5DB5910, 16 bytes long.
Data: < k > A8 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000029FE5DB6590, 16 bytes long.
Data: < k > 80 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000029FE5DB5C80, 16 bytes long.
Data: <Xk > 58 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029FE5DB5F50, 16 bytes long.
Data: <0k > 30 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000029FE5DB4B40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x0000029FE5DB5C30, 16 bytes long.
Data: < W > A8 57 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029FE5DAF9F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x0000029FE5DB6450, 16 bytes long.
Data: < W > 80 57 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029FE5DB5A50, 16 bytes long.
Data: <XW > 58 57 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029FE5DB5DC0, 16 bytes long.
Data: <0W > 30 57 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029FE5DB6810, 16 bytes long.
Data: < W > 08 57 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000029FE5DB6310, 16 bytes long.
Data: < V > E0 56 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029FE5DB5F00, 16 bytes long.
Data: < V > B8 56 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000029FE5DAF4B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x0000029FE5DB6360, 16 bytes long.
Data: < V > 90 56 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029FE5DB5690, 320 bytes long.
Data: <`c > 60 63 DB E5 9F 02 00 00 B0 F4 DA E5 9F 02 00 00
{283} normal block at 0x0000029FE5DB6220, 16 bytes long.
Data: < k > 10 6B DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029FE5DB5E10, 16 bytes long.
Data: < j > E8 6A DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029FE5DAF0F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x0000029FE5DB5AF0, 16 bytes long.
Data: < j > C0 6A DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029FE5DAF150, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x0000029FE5DB6860, 16 bytes long.
Data: < j > 08 6A DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029FE5DB6770, 16 bytes long.
Data: < i > E0 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000029FE5DB5E60, 16 bytes long.
Data: < i > B8 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029FE5DB5B90, 16 bytes long.
Data: < i > 90 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029FE5DB67C0, 16 bytes long.
Data: <hi > 68 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000029FE5DB63B0, 16 bytes long.
Data: <@i > 40 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000029FE5DB5EB0, 16 bytes long.
Data: <pM > 70 4D DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029FE5DB4D70, 40 bytes long.
Data: < ^ > B0 5E DB E5 9F 02 00 00 90 F5 D9 E5 9F 02 00 00
{269} normal block at 0x0000029FE5DB5A00, 16 bytes long.
Data: < i > 20 69 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029FE5DB62C0, 16 bytes long.
Data: < h > F8 68 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029FE5DAF1B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x0000029FE5DB5CD0, 16 bytes long.
Data: < h > D0 68 DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000029FE5DB68D0, 992 bytes long.
Data: < \ > D0 5C DB E5 9F 02 00 00 B0 F1 DA E5 9F 02 00 00
{101} normal block at 0x0000029FE5DAF930, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x0000029FE5DADE40, 16 bytes long.
Data: < L > 90 4C DB E5 9F 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x0000029FE5DB4C90, 40 bytes long.
Data: <@ 0 > 40 DE DA E5 9F 02 00 00 30 F9 DA E5 9F 02 00 00
{78} normal block at 0x0000029FE5DAE160, 16 bytes long.
Data: < > 80 EA 1A 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000029FE5DAE0C0, 16 bytes long.
Data: <@ > 40 E9 1A 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000029FE5DADA30, 16 bytes long.
Data: < W > F8 57 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000029FE5DAD3A0, 16 bytes long.
Data: < W > D8 57 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000029FE5DAD7B0, 16 bytes long.
Data: <P > 50 04 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000029FE5DAD350, 16 bytes long.
Data: <0 > 30 04 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000029FE5DADEE0, 16 bytes long.
Data: < > E0 02 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000029FE5DAE070, 16 bytes long.
Data: < > 10 04 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029FE5DAE020, 16 bytes long.
Data: <p > 70 04 17 91 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029FE5DAD6C0, 16 bytes long.
Data: < > 18 C0 15 91 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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