Task 38680127
| Name | test_667-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND0704_0 |
| Workunit | 31621866 |
| Created | 26 Oct 2026, 22:54:03 UTC |
| Sent | 26 Oct 2026, 22:54:08 UTC |
| Report deadline | 31 Oct 2026, 22:54:08 UTC |
| Received | 27 Oct 2026, 17:34:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630626 |
| Run time | 19 min 5 sec |
| CPU time | 19 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,323.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.43 MB |
| Peak swap size | 5.44 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:53:05 (33880): wrapper (7.9.26016): starting
11:53:05 (33880): 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
11:53:06 (33880): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:53:06 (33880): 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\12\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\12\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) : {3835488} normal block at 0x00000200AC57E190, 8 bytes long.
Data: < > 00 00 8B AC 00 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833960} normal block at 0x00000200AE2243C0, 1080 bytes long.
Data: < { ( > 80 7B 00 00 CD CD CD CD 28 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000200AC581A40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:17:36 (13396): wrapper (7.9.26016): starting
13:17:36 (13396): 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\12\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
13:34:17 (13396): C:/Windows/system32/cmd.exe exited; CPU time 903.500000
13:34:17 (13396): 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: 20195539 bytes.
Dumping objects ->
{1921} normal block at 0x0000017B8F035460, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1910} normal block at 0x0000017B8F0352A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1899} normal block at 0x0000017B8F0353F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1888} normal block at 0x0000017B8F035690, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1877} normal block at 0x0000017B8F035380, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1846} normal block at 0x0000017B8F01F7F0, 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) : {1833} normal block at 0x0000017B8F0366E0, 8 bytes long.
Data: < G { > 00 00 47 8F 7B 01 00 00
{306} normal block at 0x0000017B8F036640, 8 bytes long.
Data: < q { > B0 71 03 8F 7B 01 00 00
{297} normal block at 0x0000017B8F026E50, 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 0x0000017B8F035EC0, 16 bytes long.
Data: < p { > B8 70 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017B8F0367D0, 16 bytes long.
Data: < p { > 90 70 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000017B8F02FE50, 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 0x0000017B8F036690, 16 bytes long.
Data: <hp { > 68 70 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017B8F0365F0, 16 bytes long.
Data: <@p { > 40 70 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017B8F036B40, 16 bytes long.
Data: < p { > 18 70 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017B8F0365A0, 16 bytes long.
Data: < o { > F0 6F 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000017B8F035770, 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 0x0000017B8F036370, 16 bytes long.
Data: < { > 18 96 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000017B8F02FC70, 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 0x0000017B8F036AF0, 16 bytes long.
Data: < { > F0 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017B8F035F60, 16 bytes long.
Data: < { > C8 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017B8F036550, 16 bytes long.
Data: < { > A0 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017B8F036960, 16 bytes long.
Data: <x { > 78 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017B8F035E70, 16 bytes long.
Data: <P { > 50 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017B8F036730, 16 bytes long.
Data: <( { > 28 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000017B8F02FC10, 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 0x0000017B8F036500, 16 bytes long.
Data: < { > 00 95 02 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000017B8F029500, 320 bytes long.
Data: < e { { > 00 65 03 8F 7B 01 00 00 10 FC 02 8F 7B 01 00 00
{276} normal block at 0x0000017B8F036460, 16 bytes long.
Data: < o { > D0 6F 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017B8F036A50, 16 bytes long.
Data: < o { > A8 6F 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000017B8F02FDF0, 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 0x0000017B8F036910, 16 bytes long.
Data: < o { > 80 6F 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000017B8F02FD30, 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 0x0000017B8F0362D0, 16 bytes long.
Data: < n { > C8 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017B8F036AA0, 16 bytes long.
Data: < n { > A0 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017B8F0369B0, 16 bytes long.
Data: <xn { > 78 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017B8F035F10, 16 bytes long.
Data: <Pn { > 50 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017B8F0363C0, 16 bytes long.
Data: <(n { > 28 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000017B8F0368C0, 16 bytes long.
Data: < n { > 00 6E 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017B8F036870, 16 bytes long.
Data: < Q { > C0 51 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000017B8F0351C0, 40 bytes long.
Data: <ph { { > 70 68 03 8F 7B 01 00 00 F0 F7 01 8F 7B 01 00 00
{262} normal block at 0x0000017B8F036230, 16 bytes long.
Data: < m { > E0 6D 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017B8F036280, 16 bytes long.
Data: < m { > B8 6D 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000017B8F02F850, 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 0x0000017B8F036780, 16 bytes long.
Data: < m { > 90 6D 03 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000017B8F036D90, 992 bytes long.
Data: < g { P { > 80 67 03 8F 7B 01 00 00 50 F8 02 8F 7B 01 00 00
{94} normal block at 0x0000017B8F030090, 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 0x0000017B8F02E170, 16 bytes long.
Data: < { > 20 D8 01 8F 7B 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000017B8F01D820, 40 bytes long.
Data: <p { { > 70 E1 02 8F 7B 01 00 00 90 00 03 8F 7B 01 00 00
{71} normal block at 0x0000017B8F02DCC0, 16 bytes long.
Data: < aj > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017B8F02E4E0, 16 bytes long.
Data: <@ aj > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017B8F02DC70, 16 bytes long.
Data: < W^j > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017B8F02DC20, 16 bytes long.
Data: < W^j > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017B8F02E440, 16 bytes long.
Data: <P ^j > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017B8F02E6C0, 16 bytes long.
Data: <0 ^j > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017B8F02DD10, 16 bytes long.
Data: < ^j > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017B8F02E030, 16 bytes long.
Data: < ^j > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017B8F02D7C0, 16 bytes long.
Data: <p ^j > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000017B8F02DB80, 16 bytes long.
Data: < \j > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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