Task 38675281
| Name | test_858-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7155_0 |
| Workunit | 31617259 |
| Created | 26 Oct 2026, 7:48:45 UTC |
| Sent | 26 Oct 2026, 7:48:46 UTC |
| Report deadline | 31 Oct 2026, 7:48:46 UTC |
| Received | 26 Oct 2026, 8:11:46 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602597 |
| Run time | 22 min 12 sec |
| CPU time | 16 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,001.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.83 MB |
| Peak swap size | 8.51 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:49:51 (140176): wrapper (7.9.26016): starting
00:49:51 (140176): 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
00:49:52 (140176): Library/usr/bin/tar.exe exited; CPU time 0.046875
00:49:52 (140176): 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\17\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\17\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
01:11:28 (140176): C:/Windows/system32/cmd.exe exited; CPU time 968.156250
01:11:28 (140176): 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: 29186579 bytes.
Dumping objects ->
{3835198} normal block at 0x000001F5FA7A1170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000001F5FA7A0B50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001F5FA7A0ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835165} normal block at 0x000001F5FA7A0D10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x000001F5FA7A16B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835123} normal block at 0x000001F5FA8949F0, 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) : {3835110} normal block at 0x000001F5F8B2B850, 8 bytes long.
Data: < ›úõ > 00 00 9B FA F5 01 00 00
{3833959} normal block at 0x000001F5F8B2AE50, 8 bytes long.
Data: <°Ã±øõ > B0 C3 B1 F8 F5 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F5F8B1FB50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F5F8B20240, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001F5F8B330A0, 16 bytes long.
Data: <ØB³øõ > D8 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F5F8B33000, 16 bytes long.
Data: <°B³øõ > B0 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F5F8B2CD40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001F5F8B32FB0, 16 bytes long.
Data: < B³øõ > 88 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F5F8B32EC0, 16 bytes long.
Data: <`B³øõ > 60 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F5F8B33050, 16 bytes long.
Data: <8B³øõ > 38 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F5F8B334B0, 16 bytes long.
Data: < B³øõ > 10 42 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F5F8B2E9E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001F5F8B32D80, 16 bytes long.
Data: <8ß±øõ > 38 DF B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F5F8B2D8E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001F5F8B32E70, 16 bytes long.
Data: < ß±øõ > 10 DF B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F5F8B32F60, 16 bytes long.
Data: <èÞ±øõ > E8 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F5F8B32D30, 16 bytes long.
Data: <ÀÞ±øõ > C0 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F5F8B336E0, 16 bytes long.
Data: < Þ±øõ > 98 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F5F8B32F10, 16 bytes long.
Data: <pÞ±øõ > 70 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F5F8B32C90, 16 bytes long.
Data: <HÞ±øõ > 48 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F5F8B2CE60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001F5F8B32C40, 16 bytes long.
Data: < Þ±øõ > 20 DE B1 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F5F8B1DE20, 320 bytes long.
Data: <@,³øõ `βøõ > 40 2C B3 F8 F5 01 00 00 60 CE B2 F8 F5 01 00 00
{275} normal block at 0x000001F5F8B32E20, 16 bytes long.
Data: <ðA³øõ > F0 41 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F5F8B33410, 16 bytes long.
Data: <ÈA³øõ > C8 41 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F5F8B2CCE0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001F5F8B33370, 16 bytes long.
Data: < A³øõ > A0 41 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F5F8B2D6A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001F5F8B33910, 16 bytes long.
Data: <è@³øõ > E8 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F5F8B33A50, 16 bytes long.
Data: <À@³øõ > C0 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F5F8B339B0, 16 bytes long.
Data: < @³øõ > 98 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F5F8B335F0, 16 bytes long.
Data: <p@³øõ > 70 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F5F8B32BF0, 16 bytes long.
Data: <H@³øõ > 48 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F5F8B33B40, 16 bytes long.
Data: < @³øõ > 20 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F5F8B33AF0, 16 bytes long.
Data: <pé²øõ > 70 E9 B2 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F5F8B2E970, 40 bytes long.
Data: <ð:³øõ ðI‰úõ > F0 3A B3 F8 F5 01 00 00 F0 49 89 FA F5 01 00 00
{261} normal block at 0x000001F5F8B33820, 16 bytes long.
Data: < @³øõ > 00 40 B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F5F8B32DD0, 16 bytes long.
Data: <Ø?³øõ > D8 3F B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F5F8B2DAC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001F5F8B32CE0, 16 bytes long.
Data: <°?³øõ > B0 3F B3 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F5F8B33FB0, 992 bytes long.
Data: <à,³øõ ÀÚ²øõ > E0 2C B3 F8 F5 01 00 00 C0 DA B2 F8 F5 01 00 00
{93} normal block at 0x000001F5F8B2D280, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001F5F8B2B300, 16 bytes long.
Data: <Ðí²øõ > D0 ED B2 F8 F5 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001F5F8B2EDD0, 40 bytes long.
Data: < ³²øõ Ò²øõ > 00 B3 B2 F8 F5 01 00 00 80 D2 B2 F8 F5 01 00 00
{70} normal block at 0x000001F5F8B2AD60, 16 bytes long.
Data: < ê wö > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F5F8B2ACC0, 16 bytes long.
Data: <@é wö > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F5F8B2AB30, 16 bytes long.
Data: <øW wö > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F5F8B2AAE0, 16 bytes long.
Data: <ØW wö > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F5F8B2AC70, 16 bytes long.
Data: <P wö > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F5F8B2B030, 16 bytes long.
Data: <0 wö > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F5F8B2A9F0, 16 bytes long.
Data: <à wö > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F5F8B2B8F0, 16 bytes long.
Data: < wö > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F5F8B2B5D0, 16 bytes long.
Data: <p wö > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F5F8B2AA90, 16 bytes long.
Data: < À wö > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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