Task 38666613
| Name | test_330-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7725_2 |
| Workunit | 31609290 |
| Created | 25 Oct 2026, 4:04:31 UTC |
| Sent | 25 Oct 2026, 4:22:29 UTC |
| Report deadline | 30 Oct 2026, 4:22:29 UTC |
| Received | 26 Oct 2026, 2:29:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653795 |
| Run time | 1 hours 2 min 25 sec |
| CPU time | 59 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,071.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 655.92 MB |
| Peak swap size | 3.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:27:07 (3556): wrapper (7.9.26016): starting
20:27:07 (3556): 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
20:27:08 (3556): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:27:08 (3556): 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\6\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\6\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
21:29:02 (3556): C:/Windows/system32/cmd.exe exited; CPU time 3558.421875
21:29:02 (3556): 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: 48192445 bytes.
Dumping objects ->
{3835176} normal block at 0x000001E30C4F6B80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835165} normal block at 0x000001E30C4F63A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001E30C4F6F70, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835143} normal block at 0x000001E30C4F68E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835132} normal block at 0x000001E30C4F6800, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835101} normal block at 0x000001E30E0038E0, 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) : {3835088} normal block at 0x000001E30C4C7A00, 8 bytes long.
Data: < à ã > 00 00 E0 0D E3 01 00 00
{3833945} normal block at 0x000001E30C4C7F50, 8 bytes long.
Data: <P1 ã > 50 31 06 0E E3 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001E30C4CD450, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E30C4BBB10, 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 0x000001E30C4D3060, 16 bytes long.
Data: <hAM ã > 68 41 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E30C4D3010, 16 bytes long.
Data: <@AM ã > 40 41 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E30C4CE180, 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 0x000001E30C4D31A0, 16 bytes long.
Data: < AM ã > 18 41 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E30C4D34C0, 16 bytes long.
Data: <ð@M ã > F0 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E30C4D3D80, 16 bytes long.
Data: <È@M ã > C8 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E30C4D3CE0, 16 bytes long.
Data: < @M ã > A0 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E30C4CC570, 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 0x000001E30C4D3B00, 16 bytes long.
Data: < ÂK ã > 08 C2 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E30C4CD7C0, 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 0x000001E30C4D37E0, 16 bytes long.
Data: <àÁK ã > E0 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E30C4D2F70, 16 bytes long.
Data: <¸ÁK ã > B8 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E30C4D2ED0, 16 bytes long.
Data: < ÁK ã > 90 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E30C4D3D30, 16 bytes long.
Data: <hÁK ã > 68 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E30C4D3A60, 16 bytes long.
Data: <@ÁK ã > 40 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E30C4D3DD0, 16 bytes long.
Data: < ÁK ã > 18 C1 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E30C4CE2A0, 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 0x000001E30C4D2FC0, 16 bytes long.
Data: <ðÀK ã > F0 C0 4B 0C E3 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E30C4BC0F0, 320 bytes long.
Data: <À/M ã  âL ã > C0 2F 4D 0C E3 01 00 00 A0 E2 4C 0C E3 01 00 00
{268} normal block at 0x000001E30C4D3740, 16 bytes long.
Data: < @M ã > 80 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E30C4D3AB0, 16 bytes long.
Data: <X@M ã > 58 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E30C4CDAC0, 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 0x000001E30C4D3420, 16 bytes long.
Data: <0@M ã > 30 40 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E30C4CDC40, 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 0x000001E30C4D39C0, 16 bytes long.
Data: <x?M ã > 78 3F 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E30C4D33D0, 16 bytes long.
Data: <P?M ã > 50 3F 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E30C4D3C40, 16 bytes long.
Data: <(?M ã > 28 3F 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E30C4D3330, 16 bytes long.
Data: < ?M ã > 00 3F 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E30C4D36F0, 16 bytes long.
Data: <Ø>M ã > D8 3E 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E30C4D3C90, 16 bytes long.
Data: <°>M ã > B0 3E 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E30C4D3790, 16 bytes long.
Data: < ÄL ã > 20 C4 4C 0C E3 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001E30C4CC420, 40 bytes long.
Data: < 7M ã à8 ã > 90 37 4D 0C E3 01 00 00 E0 38 00 0E E3 01 00 00
{254} normal block at 0x000001E30C4D3650, 16 bytes long.
Data: < >M ã > 90 3E 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E30C4D3470, 16 bytes long.
Data: <h>M ã > 68 3E 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001E30C4CE480, 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 0x000001E30C4D2F20, 16 bytes long.
Data: <@>M ã > 40 3E 4D 0C E3 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001E30C4D3E40, 992 bytes long.
Data: < /M ã äL ã > 20 2F 4D 0C E3 01 00 00 80 E4 4C 0C E3 01 00 00
{86} normal block at 0x000001E30C4CE300, 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 0x000001E30C4C7BE0, 16 bytes long.
Data: < ÅL ã > 00 C5 4C 0C E3 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001E30C4CC500, 40 bytes long.
Data: <à{L ã ãL ã > E0 7B 4C 0C E3 01 00 00 00 E3 4C 0C E3 01 00 00
{63} normal block at 0x000001E30C4C82C0, 16 bytes long.
Data: < ê Uö > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E30C4C8220, 16 bytes long.
Data: <@é Uö > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E30C4C8270, 16 bytes long.
Data: <øWýTö > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E30C4C8590, 16 bytes long.
Data: <ØWýTö > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E30C4C7910, 16 bytes long.
Data: <P ýTö > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E30C4C7EB0, 16 bytes long.
Data: <0 ýTö > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E30C4C7DC0, 16 bytes long.
Data: <à ýTö > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E30C4C7F00, 16 bytes long.
Data: < ýTö > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001E30C4C7820, 16 bytes long.
Data: <p ýTö > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001E30C4C84F0, 16 bytes long.
Data: < ÀûTö > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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