Task 38672586
| Name | test_891-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8529_0 |
| Workunit | 31614715 |
| Created | 25 Oct 2026, 23:51:53 UTC |
| Sent | 25 Oct 2026, 23:51:57 UTC |
| Report deadline | 30 Oct 2026, 23:51:57 UTC |
| Received | 26 Oct 2026, 0:23:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 31 min 1 sec |
| CPU time | 28 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.34 MB |
| Peak swap size | 8.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:53:50 (17860): wrapper (7.9.26016): starting
03:53:50 (17860): 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
03:53:52 (17860): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:53:52 (17860): 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\10\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\10\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
04:23:19 (17860): C:/Windows/system32/cmd.exe exited; CPU time 1684.875000
04:23:19 (17860): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 47616113 bytes.
Dumping objects ->
{3835387} normal block at 0x000001FC2235D300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x000001FC2235DE60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001FC20574E30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835354} normal block at 0x000001FC20575530, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835343} normal block at 0x000001FC205754C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835312} normal block at 0x000001FC223A82B0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835299} normal block at 0x000001FC2056DF50, 8 bytes long.
Data: < £ ü > 00 00 A3 20 FC 01 00 00
{3833968} normal block at 0x000001FC2056DF00, 8 bytes long.
Data: <`×U ü > 60 D7 55 20 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FC20570F90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FC20566D90, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001FC20576530, 16 bytes long.
Data: <(mW ü > 28 6D 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FC20575BD0, 16 bytes long.
Data: < mW ü > 00 6D 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FC2056FAE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001FC205761C0, 16 bytes long.
Data: <ØlW ü > D8 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FC205764E0, 16 bytes long.
Data: <°lW ü > B0 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FC20575E50, 16 bytes long.
Data: < lW ü > 88 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FC20576620, 16 bytes long.
Data: <`lW ü > 60 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FC20575140, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001FC20575AE0, 16 bytes long.
Data: <¸òU ü > B8 F2 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FC20570560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001FC205763F0, 16 bytes long.
Data: < òU ü > 90 F2 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FC20575FE0, 16 bytes long.
Data: <hòU ü > 68 F2 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FC20575DB0, 16 bytes long.
Data: <@òU ü > 40 F2 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FC20576300, 16 bytes long.
Data: < òU ü > 18 F2 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FC20576260, 16 bytes long.
Data: <ðñU ü > F0 F1 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FC205765D0, 16 bytes long.
Data: <ÈñU ü > C8 F1 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FC2056FC60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001FC20575A90, 16 bytes long.
Data: < ñU ü > A0 F1 55 20 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FC2055F1A0, 320 bytes long.
Data: < ZW ü `üV ü > 90 5A 57 20 FC 01 00 00 60 FC 56 20 FC 01 00 00
{277} normal block at 0x000001FC20576210, 16 bytes long.
Data: <@lW ü > 40 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FC20575D60, 16 bytes long.
Data: < lW ü > 18 6C 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FC2056FDE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001FC205768A0, 16 bytes long.
Data: <ðkW ü > F0 6B 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FC20570020, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001FC20576080, 16 bytes long.
Data: <8kW ü > 38 6B 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FC205762B0, 16 bytes long.
Data: < kW ü > 10 6B 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FC20575A40, 16 bytes long.
Data: <èjW ü > E8 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FC20575D10, 16 bytes long.
Data: <ÀjW ü > C0 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FC205763A0, 16 bytes long.
Data: < jW ü > 98 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FC20576710, 16 bytes long.
Data: <pjW ü > 70 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FC20575F40, 16 bytes long.
Data: < NW ü > A0 4E 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FC20574EA0, 40 bytes long.
Data: <@_W ü °‚:"ü > 40 5F 57 20 FC 01 00 00 B0 82 3A 22 FC 01 00 00
{263} normal block at 0x000001FC20576850, 16 bytes long.
Data: <PjW ü > 50 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FC20576120, 16 bytes long.
Data: <(jW ü > 28 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FC20570260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001FC20576800, 16 bytes long.
Data: < jW ü > 00 6A 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FC20576A00, 992 bytes long.
Data: < hW ü ` W ü > 00 68 57 20 FC 01 00 00 60 02 57 20 FC 01 00 00
{95} normal block at 0x000001FC20570500, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001FC2056D870, 16 bytes long.
Data: < SW ü > 00 53 57 20 FC 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001FC20575300, 40 bytes long.
Data: <pØV ü W ü > 70 D8 56 20 FC 01 00 00 00 05 57 20 FC 01 00 00
{72} normal block at 0x000001FC2056DFF0, 16 bytes long.
Data: < êSÒ÷ > 80 EA 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FC2056D730, 16 bytes long.
Data: <@éSÒ÷ > 40 E9 53 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FC2056E450, 16 bytes long.
Data: <øWPÒ÷ > F8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FC2056DCD0, 16 bytes long.
Data: <ØWPÒ÷ > D8 57 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FC2056D7D0, 16 bytes long.
Data: <P PÒ÷ > 50 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FC2056D8C0, 16 bytes long.
Data: <0 PÒ÷ > 30 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FC2056E220, 16 bytes long.
Data: <à PÒ÷ > E0 02 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FC2056DA00, 16 bytes long.
Data: < PÒ÷ > 10 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FC2056DAF0, 16 bytes long.
Data: <p PÒ÷ > 70 04 50 D2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FC2056DD70, 16 bytes long.
Data: < ÀNÒ÷ > 18 C0 4E D2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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