Task 38699020
| Name | test_436-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2298_0 |
| Workunit | 31639473 |
| Created | 3 Nov 2026, 10:57:32 UTC |
| Sent | 3 Nov 2026, 10:57:37 UTC |
| Report deadline | 8 Nov 2026, 10:57:37 UTC |
| Received | 3 Nov 2026, 11:57:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654981 |
| Run time | 24 min 40 sec |
| CPU time | 22 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,293.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.11 MB |
| Peak swap size | 3.95 GB |
| Peak disk usage | 3.84 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:33:35 (10668): wrapper (7.9.26016): starting
06:33:35 (10668): 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
06:33:36 (10668): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:33:36 (10668): 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\2\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\2\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
06:57:13 (10668): C:/Windows/system32/cmd.exe exited; CPU time 1349.843750
06:57:13 (10668): 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: 19701807 bytes.
Dumping objects ->
{3835210} normal block at 0x000001E7C21AFEA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x000001E7C0634D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835188} normal block at 0x000001E7C0634760, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835177} normal block at 0x000001E7C0634E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835166} normal block at 0x000001E7C0634CA0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835135} normal block at 0x000001E7C22274C0, 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) : {3835122} normal block at 0x000001E7C062F5E0, 8 bytes long.
Data: < ”Àç > 00 00 94 C0 E7 01 00 00
{3833963} normal block at 0x000001E7C062F3B0, 8 bytes long.
Data: <°X+Âç > B0 58 2B C2 E7 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E7C0631380, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E7C06260E0, 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 0x000001E7C0636090, 16 bytes long.
Data: <XfcÀç > 58 66 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E7C0635E60, 16 bytes long.
Data: <0fcÀç > 30 66 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E7C062FA10, 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 0x000001E7C0635AF0, 16 bytes long.
Data: < fcÀç > 08 66 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E7C0635AA0, 16 bytes long.
Data: <àecÀç > E0 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E7C06362C0, 16 bytes long.
Data: <¸ecÀç > B8 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E7C0635820, 16 bytes long.
Data: < ecÀç > 90 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E7C06347D0, 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 0x000001E7C0636270, 16 bytes long.
Data: <hçbÀç > 68 E7 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E7C0630370, 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 0x000001E7C0635690, 16 bytes long.
Data: <@çbÀç > 40 E7 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E7C06354B0, 16 bytes long.
Data: < çbÀç > 18 E7 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E7C0635DC0, 16 bytes long.
Data: <ðæbÀç > F0 E6 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E7C06361D0, 16 bytes long.
Data: <ÈæbÀç > C8 E6 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E7C0636040, 16 bytes long.
Data: < æbÀç > A0 E6 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E7C0635640, 16 bytes long.
Data: <xæbÀç > 78 E6 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E7C062FFB0, 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 0x000001E7C0635A50, 16 bytes long.
Data: <PæbÀç > 50 E6 62 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E7C062E650, 320 bytes long.
Data: <PZcÀç °ÿbÀç > 50 5A 63 C0 E7 01 00 00 B0 FF 62 C0 E7 01 00 00
{277} normal block at 0x000001E7C0636130, 16 bytes long.
Data: <pecÀç > 70 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E7C0635780, 16 bytes long.
Data: <HecÀç > 48 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E7C062F9B0, 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 0x000001E7C0636220, 16 bytes long.
Data: < ecÀç > 20 65 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E7C0630310, 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 0x000001E7C06355F0, 16 bytes long.
Data: <hdcÀç > 68 64 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E7C06355A0, 16 bytes long.
Data: <@dcÀç > 40 64 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E7C0635460, 16 bytes long.
Data: < dcÀç > 18 64 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E7C0635D20, 16 bytes long.
Data: <ðccÀç > F0 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E7C0636180, 16 bytes long.
Data: <ÈccÀç > C8 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E7C0635FF0, 16 bytes long.
Data: < ccÀç > A0 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E7C0635910, 16 bytes long.
Data: < IcÀç > 90 49 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E7C0634990, 40 bytes long.
Data: < YcÀç Àt"Âç > 10 59 63 C0 E7 01 00 00 C0 74 22 C2 E7 01 00 00
{263} normal block at 0x000001E7C0635500, 16 bytes long.
Data: < ccÀç > 80 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E7C0635730, 16 bytes long.
Data: <XccÀç > 58 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E7C062F950, 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 0x000001E7C06356E0, 16 bytes long.
Data: <0ccÀç > 30 63 63 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E7C0636330, 992 bytes long.
Data: <àVcÀç PùbÀç > E0 56 63 C0 E7 01 00 00 50 F9 62 C0 E7 01 00 00
{95} normal block at 0x000001E7C062FA70, 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 0x000001E7C062ECD0, 16 bytes long.
Data: <àïaÀç > E0 EF 61 C0 E7 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E7C061EFE0, 40 bytes long.
Data: <ÐìbÀç púbÀç > D0 EC 62 C0 E7 01 00 00 70 FA 62 C0 E7 01 00 00
{72} normal block at 0x000001E7C062EEB0, 16 bytes long.
Data: < êÍYö > 80 EA CD 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E7C062F360, 16 bytes long.
Data: <@éÍYö > 40 E9 CD 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E7C062F310, 16 bytes long.
Data: <øWÊYö > F8 57 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E7C062ED20, 16 bytes long.
Data: <ØWÊYö > D8 57 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E7C062F590, 16 bytes long.
Data: <P ÊYö > 50 04 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E7C062F540, 16 bytes long.
Data: <0 ÊYö > 30 04 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E7C062F680, 16 bytes long.
Data: <à ÊYö > E0 02 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E7C062E9B0, 16 bytes long.
Data: < ÊYö > 10 04 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E7C062E910, 16 bytes long.
Data: <p ÊYö > 70 04 CA 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E7C062EAF0, 16 bytes long.
Data: < ÀÈYö > 18 C0 C8 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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