Task 38687547
| Name | test_853-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0316_0 |
| Workunit | 31628933 |
| Created | 28 Oct 2026, 8:25:51 UTC |
| Sent | 28 Oct 2026, 8:25:57 UTC |
| Report deadline | 2 Nov 2026, 8:25:57 UTC |
| Received | 28 Oct 2026, 16:34:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 1 hours 0 min 20 sec |
| CPU time | 58 min 26 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 | 694.10 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.95 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:56:35 (8552): wrapper (7.9.26016): starting
16:56:39 (8552): 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
16:56:42 (8552): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:56:42 (8552): 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\5\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\5\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 0x0000013A94D163C0, 8 bytes long.
Data: < : > 00 00 CB 94 3A 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000013A969DE9F0, 1080 bytes long.
Data: < 0 > 94 14 00 00 CD CD CD CD 30 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000013A94D1FBD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:25:17 (6684): wrapper (7.9.26016): starting
18:25:17 (6684): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\5\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
18:34:42 (6684): C:/Windows/system32/cmd.exe exited; CPU time 463.500000
18:34:42 (6684): 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: 5184414 bytes.
Dumping objects ->
{1597} normal block at 0x0000019D8B0AB100, 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 0x0000019D8B0AAFB0, 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 0x0000019D8B0AAF40, 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 0x0000019D8B0AAED0, 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 0x0000019D8B0AB250, 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 0x0000019D8B095B90, 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 0x0000019D8B095AA0, 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 0x0000019D8B0B10A0, 8 bytes long.
Data: < > 00 00 04 8B 9D 01 00 00
{901} normal block at 0x0000019D8B09B9D0, 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 0x0000019D8B0B1050, 8 bytes long.
Data: < 3 > E0 33 0B 8B 9D 01 00 00
{289} normal block at 0x0000019D8B095A10, 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 0x0000019D8B0B1870, 16 bytes long.
Data: < 2 > E8 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019D8B0B13C0, 16 bytes long.
Data: < 2 > C0 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019D8B0AC290, 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 0x0000019D8B0B1550, 16 bytes long.
Data: < 2 > 98 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019D8B0B0F60, 16 bytes long.
Data: <p2 > 70 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019D8B0B1960, 16 bytes long.
Data: <H2 > 48 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019D8B0B0F10, 16 bytes long.
Data: < 2 > 20 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019D8B0AB330, 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 0x0000019D8B0B1280, 16 bytes long.
Data: < > 98 C0 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019D8B0AD070, 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 0x0000019D8B0B1500, 16 bytes long.
Data: <p > 70 C0 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019D8B0B1000, 16 bytes long.
Data: <H > 48 C0 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019D8B0B15F0, 16 bytes long.
Data: < > 20 C0 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019D8B0B0EC0, 16 bytes long.
Data: < > F8 BF 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019D8B0B1820, 16 bytes long.
Data: < > D0 BF 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019D8B0B1320, 16 bytes long.
Data: < > A8 BF 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019D8B0ACFB0, 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 0x0000019D8B0B1B40, 16 bytes long.
Data: < > 80 BF 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019D8B0ABF80, 320 bytes long.
Data: <@ > 40 1B 0B 8B 9D 01 00 00 B0 CF 0A 8B 9D 01 00 00
{268} normal block at 0x0000019D8B0B1910, 16 bytes long.
Data: < 2 > 00 32 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019D8B0B0C40, 16 bytes long.
Data: < 1 > D8 31 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019D8B0AC470, 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 0x0000019D8B0B14B0, 16 bytes long.
Data: < 1 > B0 31 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019D8B0AC170, 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 0x0000019D8B0B0E20, 16 bytes long.
Data: < 0 > F8 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019D8B0B0D30, 16 bytes long.
Data: < 0 > D0 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019D8B0B0CE0, 16 bytes long.
Data: < 0 > A8 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019D8B0B0FB0, 16 bytes long.
Data: < 0 > 80 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019D8B0B1370, 16 bytes long.
Data: <X0 > 58 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019D8B0B1AA0, 16 bytes long.
Data: <00 > 30 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019D8B0B17D0, 16 bytes long.
Data: < > 80 B4 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019D8B0AB480, 40 bytes long.
Data: < [ > D0 17 0B 8B 9D 01 00 00 90 5B 09 8B 9D 01 00 00
{254} normal block at 0x0000019D8B0B12D0, 16 bytes long.
Data: < 0 > 10 30 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000019D8B0B16E0, 16 bytes long.
Data: < / > E8 2F 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000019D8B0AC8F0, 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 0x0000019D8B0B0BF0, 16 bytes long.
Data: < / > C0 2F 0B 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000019D8B0B2FC0, 992 bytes long.
Data: < > F0 0B 0B 8B 9D 01 00 00 F0 C8 0A 8B 9D 01 00 00
{86} normal block at 0x0000019D8B0AD010, 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 0x0000019D8B0A6DA0, 16 bytes long.
Data: <` > 60 B5 0A 8B 9D 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000019D8B0AB560, 40 bytes long.
Data: < m > A0 6D 0A 8B 9D 01 00 00 10 D0 0A 8B 9D 01 00 00
{63} normal block at 0x0000019D8B0A68A0, 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 0x0000019D8B0A67B0, 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 0x0000019D8B0A6760, 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 0x0000019D8B0A66C0, 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 0x0000019D8B0A6850, 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 0x0000019D8B0A6350, 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 0x0000019D8B0A6260, 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 0x0000019D8B0A65D0, 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 0x0000019D8B0A6F80, 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 0x0000019D8B0A6AD0, 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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