Task 38686313
| Name | test_850-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0323_0 |
| Workunit | 31627748 |
| Created | 28 Oct 2026, 1:54:16 UTC |
| Sent | 28 Oct 2026, 1:54:23 UTC |
| Report deadline | 2 Nov 2026, 1:54:23 UTC |
| Received | 28 Oct 2026, 2:23:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652820 |
| Run time | 28 min 56 sec |
| CPU time | 27 min 54 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,068.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 719.66 MB |
| Peak swap size | 12.91 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:55:28 (47208): wrapper (7.9.26016): starting
20:55:28 (47208): 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
20:55:30 (47208): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:55:30 (47208): 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\53\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\53\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
21:23:39 (47208): C:/Windows/system32/cmd.exe exited; CPU time 1674.171875
21:23:39 (47208): 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: 31462003 bytes.
Dumping objects ->
{3835570} normal block at 0x000001E1AE7E0AE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835559} normal block at 0x000001E1AE7E0FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x000001E1AE7E1020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835537} normal block at 0x000001E1AE7E0BC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835526} normal block at 0x000001E1AE7E14F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835495} normal block at 0x000001E1AE88CCE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835484} normal block at 0x000001E1AE8EF8A0, 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) : {3835481} normal block at 0x000001E1ACBC7200, 8 bytes long.
Data: < º¬á > 00 00 BA AC E1 01 00 00
{3834692} normal block at 0x000001E1AE8EF480, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833949} normal block at 0x000001E1ACBC74D0, 8 bytes long.
Data: < íÁ¬á > 00 ED C1 AC E1 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001E1ACBD2BA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E1ACBB61D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001E1ACBD45E0, 16 bytes long.
Data: <ØM½¬á > D8 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E1ACBD4270, 16 bytes long.
Data: <°M½¬á > B0 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E1ACBCD840, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001E1ACBD4540, 16 bytes long.
Data: < M½¬á > 88 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E1ACBD4900, 16 bytes long.
Data: <`M½¬á > 60 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E1ACBD41D0, 16 bytes long.
Data: <8M½¬á > 38 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E1ACBD4180, 16 bytes long.
Data: < M½¬á > 10 4D BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E1ACBCBFF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001E1ACBD4130, 16 bytes long.
Data: <(É»¬á > 28 C9 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E1ACBCDBA0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001E1ACBD3AF0, 16 bytes long.
Data: < É»¬á > 00 C9 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E1ACBD3FA0, 16 bytes long.
Data: <ØÈ»¬á > D8 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E1ACBD3E10, 16 bytes long.
Data: <°È»¬á > B0 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E1ACBD48B0, 16 bytes long.
Data: < È»¬á > 88 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E1ACBD4860, 16 bytes long.
Data: <`È»¬á > 60 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E1ACBD3D20, 16 bytes long.
Data: <8È»¬á > 38 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E1ACBCD1E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001E1ACBD4090, 16 bytes long.
Data: < È»¬á > 10 C8 BB AC E1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E1ACBBC810, 320 bytes long.
Data: < @½¬á àѼ¬á > 90 40 BD AC E1 01 00 00 E0 D1 BC AC E1 01 00 00
{270} normal block at 0x000001E1ACBD3F50, 16 bytes long.
Data: <ðL½¬á > F0 4C BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E1ACBD44F0, 16 bytes long.
Data: <ÈL½¬á > C8 4C BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E1ACBCD6C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001E1ACBD3F00, 16 bytes long.
Data: < L½¬á > A0 4C BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E1ACBCD360, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001E1ACBD4400, 16 bytes long.
Data: <èK½¬á > E8 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E1ACBD3B90, 16 bytes long.
Data: <ÀK½¬á > C0 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E1ACBD4A40, 16 bytes long.
Data: < K½¬á > 98 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E1ACBD3E60, 16 bytes long.
Data: <pK½¬á > 70 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E1ACBD3EB0, 16 bytes long.
Data: <HK½¬á > 48 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E1ACBD4220, 16 bytes long.
Data: < K½¬á > 20 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E1ACBD49F0, 16 bytes long.
Data: < ¿¼¬á > 10 BF BC AC E1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E1ACBCBF10, 40 bytes long.
Data: <ðI½¬á àÌ ®á > F0 49 BD AC E1 01 00 00 E0 CC 88 AE E1 01 00 00
{256} normal block at 0x000001E1ACBD4810, 16 bytes long.
Data: < K½¬á > 00 4B BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E1ACBD4680, 16 bytes long.
Data: <ØJ½¬á > D8 4A BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E1ACBCD720, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001E1ACBD43B0, 16 bytes long.
Data: <°J½¬á > B0 4A BD AC E1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001E1ACBD4AB0, 992 bytes long.
Data: <°C½¬á ×¼¬á > B0 43 BD AC E1 01 00 00 20 D7 BC AC E1 01 00 00
{88} normal block at 0x000001E1ACBCDB40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001E1ACBC7480, 16 bytes long.
Data: <p¼¼¬á > 70 BC BC AC E1 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001E1ACBCBC70, 40 bytes long.
Data: < t¼¬á @Û¼¬á > 80 74 BC AC E1 01 00 00 40 DB BC AC E1 01 00 00
{65} normal block at 0x000001E1ACBC71B0, 16 bytes long.
Data: < êÂe÷ > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E1ACBC77A0, 16 bytes long.
Data: <@éÂe÷ > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E1ACBC7160, 16 bytes long.
Data: <øW¿e÷ > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E1ACBC7A70, 16 bytes long.
Data: <ØW¿e÷ > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E1ACBC7250, 16 bytes long.
Data: <P ¿e÷ > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E1ACBC72F0, 16 bytes long.
Data: <0 ¿e÷ > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E1ACBC7660, 16 bytes long.
Data: <à ¿e÷ > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E1ACBC7610, 16 bytes long.
Data: < ¿e÷ > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E1ACBC7930, 16 bytes long.
Data: <p ¿e÷ > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E1ACBC7840, 16 bytes long.
Data: < À½e÷ > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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