Task 38669580
| Name | test_457-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3785_0 |
| Workunit | 31611906 |
| Created | 25 Oct 2026, 15:00:59 UTC |
| Sent | 25 Oct 2026, 15:01:06 UTC |
| Report deadline | 30 Oct 2026, 15:01:06 UTC |
| Received | 25 Oct 2026, 21:20:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643074 |
| Run time | 3 hours 26 min 24 sec |
| CPU time | 1 hours 42 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,848.68 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 671.93 MB |
| Peak swap size | 3.08 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:26:48 (27012): wrapper (7.9.26016): starting
16:26:48 (27012): 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
16:26:52 (27012): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:26:52 (27012): 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\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 'C:\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.
19:03:05 (28396): wrapper (7.9.26016): starting
19:03:05 (28396): 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\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
22:19:58 (28396): C:/Windows/system32/cmd.exe exited; CPU time 5848.500000
22:19:58 (28396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 161361928 bytes.
Dumping objects ->
{1614} normal block at 0x0000020C24817590, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1603} normal block at 0x0000020C24817C90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000020C24817750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1581} normal block at 0x0000020C248176E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1570} normal block at 0x0000020C24817C20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1539} normal block at 0x0000020C247FCE10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1528} normal block at 0x0000020C24817490, 102 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) : {1525} normal block at 0x0000020C248192C0, 8 bytes long.
Data: < $ > 00 00 CC 24 0C 02 00 00
{906} normal block at 0x0000020C247FDA00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{304} normal block at 0x0000020C24818550, 8 bytes long.
Data: <0 $ > 30 93 81 24 0C 02 00 00
{295} normal block at 0x0000020C248095F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000020C248188C0, 16 bytes long.
Data: <( $ > 28 82 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020C248184B0, 16 bytes long.
Data: < $ > 00 82 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020C24810A00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000020C24818AF0, 16 bytes long.
Data: < $ > D8 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020C24818FA0, 16 bytes long.
Data: < $ > B0 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020C248187D0, 16 bytes long.
Data: < $ > 88 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020C24818A00, 16 bytes long.
Data: <` $ > 60 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020C24817A60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000020C24818730, 16 bytes long.
Data: <(t $ > 28 74 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020C24810580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000020C248185F0, 16 bytes long.
Data: < t $ > 00 74 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020C24818E60, 16 bytes long.
Data: < s $ > D8 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020C24818780, 16 bytes long.
Data: < s $ > B0 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020C24818B90, 16 bytes long.
Data: < s $ > 88 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020C24818460, 16 bytes long.
Data: <`s $ > 60 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020C24818F50, 16 bytes long.
Data: <8s $ > 38 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020C24810820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000020C24818B40, 16 bytes long.
Data: < s $ > 10 73 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020C24817310, 320 bytes long.
Data: <@ $ $ > 40 8B 81 24 0C 02 00 00 20 08 81 24 0C 02 00 00
{274} normal block at 0x0000020C24818E10, 16 bytes long.
Data: <@ $ > 40 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020C24818DC0, 16 bytes long.
Data: < $ > 18 81 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020C248106A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000020C24818FF0, 16 bytes long.
Data: < $ > F0 80 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020C24810D60, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000020C24818410, 16 bytes long.
Data: <8 $ > 38 80 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020C24819180, 16 bytes long.
Data: < $ > 10 80 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020C24818AA0, 16 bytes long.
Data: < $ > E8 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020C248186E0, 16 bytes long.
Data: < $ > C0 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020C24819040, 16 bytes long.
Data: < $ > 98 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020C24813440, 16 bytes long.
Data: <p $ > 70 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020C24812EF0, 16 bytes long.
Data: <0x $ > 30 78 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020C24817830, 40 bytes long.
Data: < . $ $ > F0 2E 81 24 0C 02 00 00 10 CE 7F 24 0C 02 00 00
{260} normal block at 0x0000020C248139E0, 16 bytes long.
Data: <P $ > 50 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020C24813670, 16 bytes long.
Data: <( $ > 28 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020C248107C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000020C248130D0, 16 bytes long.
Data: < $ > 00 7F 81 24 0C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020C24817F00, 992 bytes long.
Data: < 0 $ $ > D0 30 81 24 0C 02 00 00 C0 07 81 24 0C 02 00 00
{92} normal block at 0x0000020C24810640, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000020C24813D00, 16 bytes long.
Data: < $ > A0 CD 7F 24 0C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020C247FCDA0, 40 bytes long.
Data: < = $ @ $ > 00 3D 81 24 0C 02 00 00 40 06 81 24 0C 02 00 00
{69} normal block at 0x0000020C24813C10, 16 bytes long.
Data: < R > 80 EA 52 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020C248132B0, 16 bytes long.
Data: <@ R > 40 E9 52 DD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020C24813940, 16 bytes long.
Data: < WO > F8 57 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020C24813990, 16 bytes long.
Data: < WO > D8 57 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020C24812FE0, 16 bytes long.
Data: <P O > 50 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020C24813D50, 16 bytes long.
Data: <0 O > 30 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020C24813530, 16 bytes long.
Data: < O > E0 02 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020C24813850, 16 bytes long.
Data: < O > 10 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020C248137B0, 16 bytes long.
Data: <p O > 70 04 4F DD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020C248134E0, 16 bytes long.
Data: < M > 18 C0 4D DD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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