Task 38684743
| Name | test_605-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7567_0 |
| Workunit | 31626248 |
| Created | 27 Oct 2026, 17:47:15 UTC |
| Sent | 27 Oct 2026, 17:47:22 UTC |
| Report deadline | 1 Nov 2026, 17:47:22 UTC |
| Received | 27 Oct 2026, 18:45:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630626 |
| Run time | 22 min 29 sec |
| CPU time | 20 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,323.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.01 MB |
| Peak swap size | 5.45 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:22:16 (6580): wrapper (7.9.26016): starting
14:22:16 (6580): 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
14:22:17 (6580): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:22:17 (6580): 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\12\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\12\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
14:44:19 (6580): C:/Windows/system32/cmd.exe exited; CPU time 1219.875000
14:44:19 (6580): 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: 26456293 bytes.
Dumping objects ->
{3835576} normal block at 0x000002BAC31DF0F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835565} normal block at 0x000002BAC31DE830, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835554} normal block at 0x000002BAC1666410, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835543} normal block at 0x000002BAC16664F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835532} normal block at 0x000002BAC1666020, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835501} normal block at 0x000002BAC322BC50, 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) : {3835488} normal block at 0x000002BAC16605D0, 8 bytes long.
Data: < üº > 00 00 FC C2 BA 02 00 00
{3833961} normal block at 0x000002BAC16603F0, 8 bytes long.
Data: <`ç ú > 60 E7 13 C3 BA 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002BAC165EF50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002BAC1657710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000002BAC16678A0, 16 bytes long.
Data: < ~fÁº > 18 7E 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BAC16677B0, 16 bytes long.
Data: <ð}fÁº > F0 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BAC16610E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000002BAC1667030, 16 bytes long.
Data: <È}fÁº > C8 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BAC16672B0, 16 bytes long.
Data: < }fÁº > A0 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002BAC1667760, 16 bytes long.
Data: <x}fÁº > 78 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BAC1667850, 16 bytes long.
Data: <P}fÁº > 50 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002BAC1666330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000002BAC1667800, 16 bytes long.
Data: < hfÁº > 18 68 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BAC16618C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000002BAC1667710, 16 bytes long.
Data: <ðgfÁº > F0 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BAC1667580, 16 bytes long.
Data: <ÈgfÁº > C8 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BAC1666D60, 16 bytes long.
Data: < gfÁº > A0 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BAC1667300, 16 bytes long.
Data: <xgfÁº > 78 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002BAC16676C0, 16 bytes long.
Data: <PgfÁº > 50 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BAC1666E50, 16 bytes long.
Data: <(gfÁº > 28 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002BAC1660FC0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000002BAC1667530, 16 bytes long.
Data: < gfÁº > 00 67 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BAC1666700, 320 bytes long.
Data: <0ufÁº À fÁº > 30 75 66 C1 BA 02 00 00 C0 0F 66 C1 BA 02 00 00
{276} normal block at 0x000002BAC1666F90, 16 bytes long.
Data: <0}fÁº > 30 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BAC1666E00, 16 bytes long.
Data: < }fÁº > 08 7D 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BAC16615C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000002BAC1666DB0, 16 bytes long.
Data: <à|fÁº > E0 7C 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BAC1660F00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000002BAC1667490, 16 bytes long.
Data: <(|fÁº > 28 7C 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BAC1666CC0, 16 bytes long.
Data: < |fÁº > 00 7C 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BAC1666FE0, 16 bytes long.
Data: <Ø{fÁº > D8 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BAC1667440, 16 bytes long.
Data: <°{fÁº > B0 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BAC1667210, 16 bytes long.
Data: < {fÁº > 88 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BAC1667670, 16 bytes long.
Data: <`{fÁº > 60 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BAC16674E0, 16 bytes long.
Data: <PbfÁº > 50 62 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BAC1666250, 40 bytes long.
Data: <àtfÁº P¼"ú > E0 74 66 C1 BA 02 00 00 50 BC 22 C3 BA 02 00 00
{262} normal block at 0x000002BAC16678F0, 16 bytes long.
Data: <@{fÁº > 40 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BAC16675D0, 16 bytes long.
Data: < {fÁº > 18 7B 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BAC1661860, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000002BAC1666C70, 16 bytes long.
Data: <ðzfÁº > F0 7A 66 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002BAC1667AF0, 992 bytes long.
Data: <plfÁº ` fÁº > 70 6C 66 C1 BA 02 00 00 60 18 66 C1 BA 02 00 00
{94} normal block at 0x000002BAC1661080, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000002BAC1660350, 16 bytes long.
Data: <PódÁº > 50 F3 64 C1 BA 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000002BAC164F350, 40 bytes long.
Data: <P fÁº fÁº > 50 03 66 C1 BA 02 00 00 80 10 66 C1 BA 02 00 00
{71} normal block at 0x000002BAC165FEF0, 16 bytes long.
Data: < êajö > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BAC1660670, 16 bytes long.
Data: <@éajö > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BAC16606C0, 16 bytes long.
Data: <øW^jö > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BAC16601C0, 16 bytes long.
Data: <ØW^jö > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BAC1660B20, 16 bytes long.
Data: <P ^jö > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BAC165FF90, 16 bytes long.
Data: <0 ^jö > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BAC1660D00, 16 bytes long.
Data: <à ^jö > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002BAC1660940, 16 bytes long.
Data: < ^jö > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BAC1660DF0, 16 bytes long.
Data: <p ^jö > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BAC1660B70, 16 bytes long.
Data: < À\jö > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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