Task 38662051
| Name | test_393-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND2509_1 |
| Workunit | 31604941 |
| Created | 24 Oct 2026, 17:00:47 UTC |
| Sent | 24 Oct 2026, 17:39:14 UTC |
| Report deadline | 29 Oct 2026, 17:39:14 UTC |
| Received | 25 Oct 2026, 5:16:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 607579 |
| Run time | 31 min 2 sec |
| CPU time | 29 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 21,377.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.58 MB |
| Peak swap size | 9.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:15:47 (9464): wrapper (7.9.26016): starting
21:15:47 (9464): 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
21:15:48 (9464): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:15:48 (9464): 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
21:45:57 (9464): C:/Windows/system32/cmd.exe exited; CPU time 1764.578125
21:45:57 (9464): 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: 42441011 bytes.
Dumping objects ->
{3835569} normal block at 0x0000015EA0743890, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835558} normal block at 0x0000015EA07443F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x0000015E9E9C4D30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835536} normal block at 0x0000015E9E9C4A90, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835525} normal block at 0x0000015E9E9C4C50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835494} normal block at 0x0000015EA06EB4B0, 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) : {3835481} normal block at 0x0000015E9E9BE160, 8 bytes long.
Data: < –ž^ > 00 00 96 9E 5E 01 00 00
{3833967} normal block at 0x0000015E9E9BE110, 8 bytes long.
Data: <°å©ž^ > B0 E5 A9 9E 5E 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000015E9E9C1540, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000015E9E9B6930, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x0000015E9E9C6180, 16 bytes long.
Data: <hjœž^ > 68 6A 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000015E9E9C5F50, 16 bytes long.
Data: <@jœž^ > 40 6A 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000015E9E9BFBD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x0000015E9E9C6590, 16 bytes long.
Data: < jœž^ > 18 6A 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000015E9E9C6400, 16 bytes long.
Data: <ðiœž^ > F0 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000015E9E9C5870, 16 bytes long.
Data: <Èiœž^ > C8 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000015E9E9C64F0, 16 bytes long.
Data: < iœž^ > A0 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000015E9E9C4B00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x0000015E9E9C6130, 16 bytes long.
Data: <8“›ž^ > 38 93 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000015E9E9BFAB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x0000015E9E9C6220, 16 bytes long.
Data: < “›ž^ > 10 93 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000015E9E9C5F00, 16 bytes long.
Data: <è’›ž^ > E8 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000015E9E9C5E60, 16 bytes long.
Data: <À’›ž^ > C0 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000015E9E9C6360, 16 bytes long.
Data: < ’›ž^ > 98 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000015E9E9C5C30, 16 bytes long.
Data: <p’›ž^ > 70 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000015E9E9C62C0, 16 bytes long.
Data: <H’›ž^ > 48 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000015E9E9BF630, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x0000015E9E9C60E0, 16 bytes long.
Data: < ’›ž^ > 20 92 9B 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000015E9E9B9220, 320 bytes long.
Data: <à`œž^ 0ö›ž^ > E0 60 9C 9E 5E 01 00 00 30 F6 9B 9E 5E 01 00 00
{279} normal block at 0x0000015E9E9C5E10, 16 bytes long.
Data: < iœž^ > 80 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000015E9E9C66D0, 16 bytes long.
Data: <Xiœž^ > 58 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000015E9E9BF690, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x0000015E9E9C6270, 16 bytes long.
Data: <0iœž^ > 30 69 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000015E9E9BF8D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x0000015E9E9C59B0, 16 bytes long.
Data: <xhœž^ > 78 68 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000015E9E9C5960, 16 bytes long.
Data: <Phœž^ > 50 68 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000015E9E9C5EB0, 16 bytes long.
Data: <(hœž^ > 28 68 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000015E9E9C6040, 16 bytes long.
Data: < hœž^ > 00 68 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000015E9E9C5DC0, 16 bytes long.
Data: <Øgœž^ > D8 67 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000015E9E9C57D0, 16 bytes long.
Data: <°gœž^ > B0 67 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000015E9E9C63B0, 16 bytes long.
Data: < Nœž^ > 10 4E 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000015E9E9C4E10, 40 bytes long.
Data: <°cœž^ °´n ^ > B0 63 9C 9E 5E 01 00 00 B0 B4 6E A0 5E 01 00 00
{265} normal block at 0x0000015E9E9C6540, 16 bytes long.
Data: < gœž^ > 90 67 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000015E9E9C5B40, 16 bytes long.
Data: <hgœž^ > 68 67 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000015E9E9BF6F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x0000015E9E9C6090, 16 bytes long.
Data: <@gœž^ > 40 67 9C 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000015E9E9C6740, 992 bytes long.
Data: < `œž^ ðö›ž^ > 90 60 9C 9E 5E 01 00 00 F0 F6 9B 9E 5E 01 00 00
{97} normal block at 0x0000015E9E9BEFD0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x0000015E9E9BDDF0, 16 bytes long.
Data: <`Öšž^ > 60 D6 9A 9E 5E 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000015E9E9AD660, 40 bytes long.
Data: <ðÝ›ž^ Ð^ > F0 DD 9B 9E 5E 01 00 00 D0 EF 9B 9E 5E 01 00 00
{74} normal block at 0x0000015E9E9BDB20, 16 bytes long.
Data: < ê.¼÷ > 80 EA 2E BC F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000015E9E9BD760, 16 bytes long.
Data: <@é.¼÷ > 40 E9 2E BC F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000015E9E9BD800, 16 bytes long.
Data: <øW+¼÷ > F8 57 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000015E9E9BDC10, 16 bytes long.
Data: <ØW+¼÷ > D8 57 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000015E9E9BE200, 16 bytes long.
Data: <P +¼÷ > 50 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000015E9E9BE390, 16 bytes long.
Data: <0 +¼÷ > 30 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000015E9E9BDC60, 16 bytes long.
Data: <à +¼÷ > E0 02 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000015E9E9BDDA0, 16 bytes long.
Data: < +¼÷ > 10 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000015E9E9BE0C0, 16 bytes long.
Data: <p +¼÷ > 70 04 2B BC F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000015E9E9BDD00, 16 bytes long.
Data: < À)¼÷ > 18 C0 29 BC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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