Task 38677878
| Name | test_754-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4890_0 |
| Workunit | 31619732 |
| Created | 26 Oct 2026, 15:41:33 UTC |
| Sent | 26 Oct 2026, 15:41:35 UTC |
| Report deadline | 31 Oct 2026, 15:41:35 UTC |
| Received | 26 Oct 2026, 23:41:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 59 min 15 sec |
| CPU time | 58 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,564.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.82 MB |
| Peak swap size | 9.77 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:05:34 (7392): wrapper (7.9.26016): starting
23:05:34 (7392): 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
23:05:36 (7392): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:05:36 (7392): 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\2\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\2\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) : {3835155} normal block at 0x000002B60BE86120, 8 bytes long.
Data: < > 00 00 E5 0B B6 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000002B60DA1EA40, 1080 bytes long.
Data: < " h > 84 22 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002B60BE8FCA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
01:32:40 (11204): wrapper (7.9.26016): starting
01:32:40 (11204): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\2\tmp 㦥 áãé¥áâ¢ã¥â.
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
01:42:11 (11204): C:/Windows/system32/cmd.exe exited; CPU time 471.218750
01:42:11 (11204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 3801006 bytes.
Dumping objects ->
{1597} normal block at 0x000002DFA277AFB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x000002DFA277B1E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x000002DFA277AF40, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1564} normal block at 0x000002DFA277B3A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x000002DFA277AED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1522} normal block at 0x000002DFA2765B90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x000002DFA2765AA0, 180 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) : {1508} normal block at 0x000002DFA27815A0, 8 bytes long.
Data: < > 00 00 1A A4 DF 02 00 00
{901} normal block at 0x000002DFA276B9D0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x000002DFA2781460, 8 bytes long.
Data: < 3x > E0 33 78 A2 DF 02 00 00
{289} normal block at 0x000002DFA2765A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002DFA27817D0, 16 bytes long.
Data: < 2x > E8 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002DFA27815F0, 16 bytes long.
Data: < 2x > C0 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002DFA277C8F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002DFA27819B0, 16 bytes long.
Data: < 2x > 98 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002DFA2781820, 16 bytes long.
Data: <p2x > 70 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002DFA2781730, 16 bytes long.
Data: <H2x > 48 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002DFA2781280, 16 bytes long.
Data: < 2x > 20 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002DFA277B330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002DFA2780C40, 16 bytes long.
Data: < w > 98 C0 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002DFA277C3B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002DFA2781780, 16 bytes long.
Data: <p w > 70 C0 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002DFA2781550, 16 bytes long.
Data: <H w > 48 C0 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002DFA2781500, 16 bytes long.
Data: < w > 20 C0 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002DFA27814B0, 16 bytes long.
Data: < w > F8 BF 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002DFA2781230, 16 bytes long.
Data: < w > D0 BF 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002DFA27811E0, 16 bytes long.
Data: < w > A8 BF 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002DFA277C7D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002DFA27818C0, 16 bytes long.
Data: < w > 80 BF 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002DFA277BF80, 320 bytes long.
Data: < x w > C0 18 78 A2 DF 02 00 00 D0 C7 77 A2 DF 02 00 00
{268} normal block at 0x000002DFA2781870, 16 bytes long.
Data: < 2x > 00 32 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002DFA2781690, 16 bytes long.
Data: < 1x > D8 31 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002DFA277C410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002DFA2781140, 16 bytes long.
Data: < 1x > B0 31 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002DFA277C530, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002DFA2780F10, 16 bytes long.
Data: < 0x > F8 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002DFA2781960, 16 bytes long.
Data: < 0x > D0 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002DFA2780E20, 16 bytes long.
Data: < 0x > A8 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002DFA2781AA0, 16 bytes long.
Data: < 0x > 80 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002DFA2780DD0, 16 bytes long.
Data: <X0x > 58 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002DFA2781410, 16 bytes long.
Data: <00x > 30 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002DFA27810F0, 16 bytes long.
Data: <` w > 60 B5 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002DFA277B560, 40 bytes long.
Data: < x [v > F0 10 78 A2 DF 02 00 00 90 5B 76 A2 DF 02 00 00
{254} normal block at 0x000002DFA2781A50, 16 bytes long.
Data: < 0x > 10 30 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002DFA2781190, 16 bytes long.
Data: < /x > E8 2F 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002DFA277CD10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002DFA2781B40, 16 bytes long.
Data: < /x > C0 2F 78 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002DFA2782FC0, 992 bytes long.
Data: <@ x w > 40 1B 78 A2 DF 02 00 00 10 CD 77 A2 DF 02 00 00
{86} normal block at 0x000002DFA277C9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002DFA27763A0, 16 bytes long.
Data: <p w > 70 B1 77 A2 DF 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002DFA277B170, 40 bytes long.
Data: < cw w > A0 63 77 A2 DF 02 00 00 B0 C9 77 A2 DF 02 00 00
{63} normal block at 0x000002DFA2776120, 16 bytes long.
Data: < v > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002DFA27761C0, 16 bytes long.
Data: <@ v > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002DFA27760D0, 16 bytes long.
Data: < W v > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002DFA2776670, 16 bytes long.
Data: < W v > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002DFA2776A30, 16 bytes long.
Data: <P v > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002DFA2776850, 16 bytes long.
Data: <0 v > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002DFA2776E40, 16 bytes long.
Data: < v > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002DFA2776260, 16 bytes long.
Data: < v > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002DFA2776940, 16 bytes long.
Data: <p v > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002DFA27768F0, 16 bytes long.
Data: < v > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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