Task 38648636
| Name | test_541-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND7481_1 |
| Workunit | 31592381 |
| Created | 23 Oct 2026, 20:47:21 UTC |
| Sent | 24 Oct 2026, 2:13:42 UTC |
| Report deadline | 29 Oct 2026, 2:13:42 UTC |
| Received | 24 Oct 2026, 3:18:07 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654845 |
| Run time | 22 min 43 sec |
| CPU time | 16 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,075.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.57 MB |
| Peak swap size | 1.67 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:55:08 (7924): wrapper (7.9.26016): starting
05:55:08 (7924): 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
05:55:09 (7924): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:55:09 (7924): 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 'D:\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 'D:\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.
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
06:15:57 (7924): C:/Windows/system32/cmd.exe exited; CPU time 1012.734375
06:15:57 (7924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 14921269 bytes.
Dumping objects ->
{3835468} normal block at 0x0000016E4E85C4B0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x0000016E4E85D0F0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x0000016E4E85D160, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835435} normal block at 0x0000016E4CCCA990, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x0000016E4CCCA8B0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835393} normal block at 0x0000016E4E8A3CD0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835382} normal block at 0x0000016E4CD9D180, 160 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) : {3835379} normal block at 0x0000016E4CCC6040, 8 bytes long.
Data: < ÊLn > 00 00 CA 4C 6E 01 00 00
{3834658} normal block at 0x0000016E4CD9D0A0, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x0000016E4CCC5FA0, 8 bytes long.
Data: <À “Nn > C0 15 93 4E 6E 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016E4CCCF8C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016E4CCB5B30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x0000016E4CCD0080, 16 bytes long.
Data: < &ÍLn > 88 26 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016E4CCD09E0, 16 bytes long.
Data: <`&ÍLn > 60 26 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000016E4CCCBD50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x0000016E4CCCFFE0, 16 bytes long.
Data: <8&ÍLn > 38 26 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000016E4CCD0710, 16 bytes long.
Data: < &ÍLn > 10 26 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000016E4CCD0030, 16 bytes long.
Data: <è%ÍLn > E8 25 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016E4CCD0B70, 16 bytes long.
Data: <À%ÍLn > C0 25 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016E4CCCA290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x0000016E4CCD0E40, 16 bytes long.
Data: <ÈZËLn > C8 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016E4CCCB8D0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x0000016E4CCD0940, 16 bytes long.
Data: < ZËLn > A0 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000016E4CCD0DF0, 16 bytes long.
Data: <xZËLn > 78 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016E4CCD0DA0, 16 bytes long.
Data: <PZËLn > 50 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000016E4CCCFF90, 16 bytes long.
Data: <(ZËLn > 28 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016E4CCD0170, 16 bytes long.
Data: < ZËLn > 00 5A CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016E4CCD0C60, 16 bytes long.
Data: <ØYËLn > D8 59 CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000016E4CCCB990, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x0000016E4CCD0580, 16 bytes long.
Data: <°YËLn > B0 59 CB 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000016E4CCB59B0, 320 bytes long.
Data: < ÍLn ¹ÌLn > 80 05 CD 4C 6E 01 00 00 90 B9 CC 4C 6E 01 00 00
{269} normal block at 0x0000016E4CCD0B20, 16 bytes long.
Data: < %ÍLn > A0 25 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016E4CCD08F0, 16 bytes long.
Data: <x%ÍLn > 78 25 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000016E4CCCC410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x0000016E4CCD08A0, 16 bytes long.
Data: <P%ÍLn > 50 25 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016E4CCCBBD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x0000016E4CCD0D00, 16 bytes long.
Data: < $ÍLn > 98 24 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016E4CCD00D0, 16 bytes long.
Data: <p$ÍLn > 70 24 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016E4CCD0800, 16 bytes long.
Data: <H$ÍLn > 48 24 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000016E4CCD03A0, 16 bytes long.
Data: < $ÍLn > 20 24 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016E4CCD05D0, 16 bytes long.
Data: <ø#ÍLn > F8 23 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016E4CCD0D50, 16 bytes long.
Data: <Ð#ÍLn > D0 23 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016E4CCD0AD0, 16 bytes long.
Data: <p£ÌLn > 70 A3 CC 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000016E4CCCA370, 40 bytes long.
Data: <Ð ÍLn Ð<ŠNn > D0 0A CD 4C 6E 01 00 00 D0 3C 8A 4E 6E 01 00 00
{255} normal block at 0x0000016E4CCD0A80, 16 bytes long.
Data: <°#ÍLn > B0 23 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000016E4CCD0120, 16 bytes long.
Data: < #ÍLn > 88 23 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000016E4CCCC3B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x0000016E4CCD07B0, 16 bytes long.
Data: <`#ÍLn > 60 23 CD 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x0000016E4CCD2360, 992 bytes long.
Data: <° ÍLn °ÃÌLn > B0 07 CD 4C 6E 01 00 00 B0 C3 CC 4C 6E 01 00 00
{87} normal block at 0x0000016E4CCCB870, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x0000016E4CCC5F50, 16 bytes long.
Data: <`§ÌLn > 60 A7 CC 4C 6E 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x0000016E4CCCA760, 40 bytes long.
Data: <P_ÌLn p¸ÌLn > 50 5F CC 4C 6E 01 00 00 70 B8 CC 4C 6E 01 00 00
{64} normal block at 0x0000016E4CCC6310, 16 bytes long.
Data: < ê3®÷ > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016E4CCC5E10, 16 bytes long.
Data: <@é3®÷ > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016E4CCC5D70, 16 bytes long.
Data: <øW0®÷ > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016E4CCC5D20, 16 bytes long.
Data: <ØW0®÷ > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000016E4CCC5C80, 16 bytes long.
Data: <P 0®÷ > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000016E4CCC57D0, 16 bytes long.
Data: <0 0®÷ > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000016E4CCC59B0, 16 bytes long.
Data: <à 0®÷ > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000016E4CCC56E0, 16 bytes long.
Data: < 0®÷ > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000016E4CCC63B0, 16 bytes long.
Data: <p 0®÷ > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000016E4CCC5C30, 16 bytes long.
Data: < À.®÷ > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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