Task 38661520
| Name | test_243-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND4623_1 |
| Workunit | 31597754 |
| Created | 24 Oct 2026, 15:53:25 UTC |
| Sent | 24 Oct 2026, 17:31:32 UTC |
| Report deadline | 29 Oct 2026, 17:31:32 UTC |
| Received | 24 Oct 2026, 18:47:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 620057 |
| Run time | 47 min |
| CPU time | 40 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,156.89 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 694.79 MB |
| Peak swap size | 5.22 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:42:23 (16288): wrapper (7.9.26016): starting
20:42:23 (16288): 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
20:42:26 (16288): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:42:26 (16288): 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.
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
21:28:10 (16288): C:/Windows/system32/cmd.exe exited; CPU time 2445.875000
21:28:10 (16288): 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: 42003083 bytes.
Dumping objects ->
{3835181} normal block at 0x000001A19C903D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835170} normal block at 0x000001A19C903CA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835159} normal block at 0x000001A19C903C30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835148} normal block at 0x000001A19C903AE0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835137} normal block at 0x000001A19C903A70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835106} normal block at 0x000001A19E51CB90, 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) : {3835093} normal block at 0x000001A19C8FAF00, 8 bytes long.
Data: < /ž¡ > 00 00 2F 9E A1 01 00 00
{3833945} normal block at 0x000001A19C8FAAA0, 8 bytes long.
Data: < Lcž¡ > A0 4C 63 9E A1 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001A19C8EF290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A19C8EE4E0, 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 0x000001A19C904860, 16 bytes long.
Data: < T œ¡ > 18 54 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001A19C904D10, 16 bytes long.
Data: <ðS œ¡ > F0 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A19C8FDC40, 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 0x000001A19C9049A0, 16 bytes long.
Data: <ÈS œ¡ > C8 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001A19C904400, 16 bytes long.
Data: < S œ¡ > A0 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A19C904EF0, 16 bytes long.
Data: <xS œ¡ > 78 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A19C904810, 16 bytes long.
Data: <PS œ¡ > 50 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A19C903B50, 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 0x000001A19C9049F0, 16 bytes long.
Data: <¸ÓŽœ¡ > B8 D3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A19C8FDF40, 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 0x000001A19C904950, 16 bytes long.
Data: < ÓŽœ¡ > 90 D3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A19C9047C0, 16 bytes long.
Data: <hÓŽœ¡ > 68 D3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001A19C904630, 16 bytes long.
Data: <@ÓŽœ¡ > 40 D3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A19C904360, 16 bytes long.
Data: < ÓŽœ¡ > 18 D3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A19C904A90, 16 bytes long.
Data: <ðÒŽœ¡ > F0 D2 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001A19C904310, 16 bytes long.
Data: <ÈÒŽœ¡ > C8 D2 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A19C8FDEE0, 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 0x000001A19C904CC0, 16 bytes long.
Data: < ÒŽœ¡ > A0 D2 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A19C8ED2A0, 320 bytes long.
Data: <ÀL œ¡ àÞ œ¡ > C0 4C 90 9C A1 01 00 00 E0 DE 8F 9C A1 01 00 00
{268} normal block at 0x000001A19C9042C0, 16 bytes long.
Data: <0S œ¡ > 30 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A19C904220, 16 bytes long.
Data: < S œ¡ > 08 53 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A19C8FDCA0, 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 0x000001A19C9043B0, 16 bytes long.
Data: <àR œ¡ > E0 52 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001A19C8FDB20, 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 0x000001A19C905080, 16 bytes long.
Data: <(R œ¡ > 28 52 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A19C904A40, 16 bytes long.
Data: < R œ¡ > 00 52 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001A19C904180, 16 bytes long.
Data: <ØQ œ¡ > D8 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A19C904770, 16 bytes long.
Data: <°Q œ¡ > B0 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A19C904720, 16 bytes long.
Data: < Q œ¡ > 88 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001A19C904E00, 16 bytes long.
Data: <`Q œ¡ > 60 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001A19C904B80, 16 bytes long.
Data: < 9 œ¡ > 90 39 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001A19C903990, 40 bytes long.
Data: < K œ¡ ËQž¡ > 80 4B 90 9C A1 01 00 00 90 CB 51 9E A1 01 00 00
{254} normal block at 0x000001A19C904900, 16 bytes long.
Data: <@Q œ¡ > 40 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001A19C904270, 16 bytes long.
Data: < Q œ¡ > 18 51 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001A19C8FDE80, 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 0x000001A19C904B30, 16 bytes long.
Data: <ðP œ¡ > F0 50 90 9C A1 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001A19C9050F0, 992 bytes long.
Data: <0K œ¡ Þ œ¡ > 30 4B 90 9C A1 01 00 00 80 DE 8F 9C A1 01 00 00
{86} normal block at 0x000001A19C8FDD00, 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 0x000001A19C8FAEB0, 16 bytes long.
Data: <à㎜¡ > E0 E3 8E 9C A1 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001A19C8EE3E0, 40 bytes long.
Data: <°® œ¡ Ý œ¡ > B0 AE 8F 9C A1 01 00 00 00 DD 8F 9C A1 01 00 00
{63} normal block at 0x000001A19C8FA190, 16 bytes long.
Data: < ê á÷ > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A19C8FA5A0, 16 bytes long.
Data: <@é á÷ > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A19C8FAA50, 16 bytes long.
Data: <øW–á÷ > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001A19C8FA8C0, 16 bytes long.
Data: <ØW–á÷ > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001A19C8FA820, 16 bytes long.
Data: <P –á÷ > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001A19C8FA230, 16 bytes long.
Data: <0 –á÷ > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001A19C8FA2D0, 16 bytes long.
Data: <à –á÷ > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001A19C8FA7D0, 16 bytes long.
Data: < –á÷ > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001A19C8FADC0, 16 bytes long.
Data: <p –á÷ > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001A19C8FA730, 16 bytes long.
Data: < À”á÷ > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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