Task 38685441
| Name | test_600-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7740_0 |
| Workunit | 31626907 |
| Created | 27 Oct 2026, 21:03:29 UTC |
| Sent | 27 Oct 2026, 21:03:33 UTC |
| Report deadline | 1 Nov 2026, 21:03:33 UTC |
| Received | 28 Oct 2026, 5:37:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 38 sec |
| CPU time | 58 min 38 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 | 692.17 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:00:30 (3576): wrapper (7.9.26016): starting
06:00:30 (3576): 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
06:00:37 (3576): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:00:37 (3576): 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\23\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\23\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 0x000001A26AAA60F0, 8 bytes long.
Data: < j > 00 00 A4 6A A2 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x000001A26C8974F0, 1080 bytes long.
Data: <d! > 64 21 00 00 CD CD CD CD DC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A26AAAFA40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:28:17 (676): wrapper (7.9.26016): starting
07:28:17 (676): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\23\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
07:37:43 (676): C:/Windows/system32/cmd.exe exited; CPU time 467.140625
07:37:43 (676): 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: 5093949 bytes.
Dumping objects ->
{1597} normal block at 0x000001BA3545B3F0, 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 0x000001BA3545B150, 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 0x000001BA3545AF20, 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 0x000001BA3545AEB0, 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 0x000001BA3545B4D0, 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 0x000001BA354630A0, 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 0x000001BA35465060, 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 0x000001BA35461870, 8 bytes long.
Data: < :5 > 00 00 3A 35 BA 01 00 00
{901} normal block at 0x000001BA3544ADC0, 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 0x000001BA35461550, 8 bytes long.
Data: < 5F5 > E0 35 46 35 BA 01 00 00
{289} normal block at 0x000001BA3544BA60, 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 0x000001BA35461690, 16 bytes long.
Data: < 4F5 > E8 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BA35461640, 16 bytes long.
Data: < 4F5 > C0 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001BA3545C2E0, 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 0x000001BA354614B0, 16 bytes long.
Data: < 4F5 > 98 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BA35461500, 16 bytes long.
Data: <p4F5 > 70 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BA35461280, 16 bytes long.
Data: <H4F5 > 48 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BA354618C0, 16 bytes long.
Data: < 4F5 > 20 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BA3545B5B0, 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 0x000001BA35461460, 16 bytes long.
Data: < E5 > E8 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BA3545C3A0, 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 0x000001BA354613C0, 16 bytes long.
Data: < E5 > C0 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001BA35461410, 16 bytes long.
Data: < E5 > 98 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BA35461B40, 16 bytes long.
Data: <p E5 > 70 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BA354610A0, 16 bytes long.
Data: <H E5 > 48 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001BA35460F60, 16 bytes long.
Data: < E5 > 20 C0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BA35461050, 16 bytes long.
Data: < E5 > F8 BF 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001BA3545C580, 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 0x000001BA354616E0, 16 bytes long.
Data: < E5 > D0 BF 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BA3545BFD0, 320 bytes long.
Data: < F5 E5 > E0 16 46 35 BA 01 00 00 80 C5 45 35 BA 01 00 00
{268} normal block at 0x000001BA35461320, 16 bytes long.
Data: < 4F5 > 00 34 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BA35461140, 16 bytes long.
Data: < 3F5 > D8 33 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BA3545C520, 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 0x000001BA35461A00, 16 bytes long.
Data: < 3F5 > B0 33 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BA3545C280, 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 0x000001BA35461000, 16 bytes long.
Data: < 2F5 > F8 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001BA35461A50, 16 bytes long.
Data: < 2F5 > D0 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BA35460E20, 16 bytes long.
Data: < 2F5 > A8 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BA35461AF0, 16 bytes long.
Data: < 2F5 > 80 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001BA35461370, 16 bytes long.
Data: <X2F5 > 58 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BA35460DD0, 16 bytes long.
Data: <02F5 > 30 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001BA354615A0, 16 bytes long.
Data: < E5 > E0 B0 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001BA3545B0E0, 40 bytes long.
Data: < F5 0F5 > A0 15 46 35 BA 01 00 00 A0 30 46 35 BA 01 00 00
{254} normal block at 0x000001BA354619B0, 16 bytes long.
Data: < 2F5 > 10 32 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001BA35460FB0, 16 bytes long.
Data: < 1F5 > E8 31 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001BA3545D000, 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 0x000001BA35461230, 16 bytes long.
Data: < 1F5 > C0 31 46 35 BA 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001BA354631C0, 992 bytes long.
Data: <0 F5 E5 > 30 12 46 35 BA 01 00 00 00 D0 45 35 BA 01 00 00
{86} normal block at 0x000001BA3545C4C0, 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 0x000001BA35456800, 16 bytes long.
Data: < E5 > C0 B1 45 35 BA 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001BA3545B1C0, 40 bytes long.
Data: < hE5 E5 > 00 68 45 35 BA 01 00 00 C0 C4 45 35 BA 01 00 00
{63} normal block at 0x000001BA35456A30, 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 0x000001BA35456170, 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 0x000001BA35456670, 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 0x000001BA35456E40, 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 0x000001BA35456620, 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 0x000001BA35456C60, 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 0x000001BA35457070, 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 0x000001BA35456C10, 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 0x000001BA35456440, 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 0x000001BA35456D50, 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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