Task 38680868
| Name | test_308-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND3323_0 |
| Workunit | 31622565 |
| Created | 27 Oct 2026, 2:01:16 UTC |
| Sent | 27 Oct 2026, 2:01:21 UTC |
| Report deadline | 1 Nov 2026, 2:01:21 UTC |
| Received | 27 Oct 2026, 5:11:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644440 |
| Run time | 59 min 26 sec |
| CPU time | 59 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 8,090.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.11 MB |
| Peak swap size | 12.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
00:10:19 (60116): wrapper (7.9.26016): starting
00:10:19 (60116): 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
00:10:20 (60116): Library/usr/bin/tar.exe exited; CPU time 0.031250
00:10:20 (60116): 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\32\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\32\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
01:10:38 (60116): C:/Windows/system32/cmd.exe exited; CPU time 3566.437500
01:10:38 (60116): 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: 99811107 bytes.
Dumping objects ->
{3835512} normal block at 0x0000019FF1F1EFF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835501} normal block at 0x0000019FF00C64C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x0000019FF00C6450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835479} normal block at 0x0000019FF00C6760, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x0000019FF00C6680, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835437} normal block at 0x0000019FF1F6D7F0, 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) : {3835424} normal block at 0x0000019FF00BF3C0, 8 bytes long.
Data: < YðŸ > 00 00 59 F0 9F 01 00 00
{3833965} normal block at 0x0000019FF00BF000, 8 bytes long.
Data: < ¯ ðŸ > 00 AF 0E F0 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000019FF00B7620, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019FF00B86E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000019FF00C6D90, 16 bytes long.
Data: <È{ ðŸ > C8 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019FF00C6B60, 16 bytes long.
Data: < { ðŸ > A0 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000019FF00C28D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000019FF00C70B0, 16 bytes long.
Data: <x{ ðŸ > 78 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019FF00C7010, 16 bytes long.
Data: <P{ ðŸ > 50 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019FF00C6980, 16 bytes long.
Data: <({ ðŸ > 28 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019FF00C6B10, 16 bytes long.
Data: < { ðŸ > 00 7B 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FF00C60D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000019FF00C7740, 16 bytes long.
Data: <è ðŸ > E8 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019FF00C2030, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000019FF00C76A0, 16 bytes long.
Data: <À ðŸ > C0 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019FF00C7240, 16 bytes long.
Data: < ðŸ > 98 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FF00C7380, 16 bytes long.
Data: <p ðŸ > 70 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019FF00C69D0, 16 bytes long.
Data: <H ðŸ > 48 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FF00C7650, 16 bytes long.
Data: < ðŸ > 20 17 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019FF00C6FC0, 16 bytes long.
Data: <ø ðŸ > F8 16 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019FF00C2AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000019FF00C6AC0, 16 bytes long.
Data: <Ð ðŸ > D0 16 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019FF00C16D0, 320 bytes long.
Data: <Àj 🠰* ðŸ > C0 6A 0C F0 9F 01 00 00 B0 2A 0C F0 9F 01 00 00
{278} normal block at 0x0000019FF00C6F20, 16 bytes long.
Data: <àz ðŸ > E0 7A 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019FF00C7600, 16 bytes long.
Data: <¸z ðŸ > B8 7A 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FF00C2870, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000019FF00C7290, 16 bytes long.
Data: < z ðŸ > 90 7A 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019FF00C29F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000019FF00C7060, 16 bytes long.
Data: <Øy ðŸ > D8 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019FF00C6BB0, 16 bytes long.
Data: <°y ðŸ > B0 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FF00C6D40, 16 bytes long.
Data: < y ðŸ > 88 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019FF00C6ED0, 16 bytes long.
Data: <`y ðŸ > 60 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019FF00C6A20, 16 bytes long.
Data: <8y ðŸ > 38 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FF00C6F70, 16 bytes long.
Data: < y ðŸ > 10 79 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019FF00C6A70, 16 bytes long.
Data: < b ðŸ > 20 62 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019FF00C6220, 40 bytes long.
Data: <pj ðŸ ð×öñŸ > 70 6A 0C F0 9F 01 00 00 F0 D7 F6 F1 9F 01 00 00
{264} normal block at 0x0000019FF00C6E30, 16 bytes long.
Data: <ðx ðŸ > F0 78 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019FF00C7560, 16 bytes long.
Data: <Èx ðŸ > C8 78 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019FF00C1F10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000019FF00C6930, 16 bytes long.
Data: < x ðŸ > A0 78 0C F0 9F 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019FF00C78A0, 992 bytes long.
Data: <0i ðŸ ðŸ > 30 69 0C F0 9F 01 00 00 10 1F 0C F0 9F 01 00 00
{96} normal block at 0x0000019FF00C2810, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000019FF00BFD20, 16 bytes long.
Data: < ï ðŸ > 00 EF 0A F0 9F 01 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000019FF00AEF00, 40 bytes long.
Data: < ý ðŸ ( ðŸ > 20 FD 0B F0 9F 01 00 00 10 28 0C F0 9F 01 00 00
{73} normal block at 0x0000019FF00BF780, 16 bytes long.
Data: < êaå÷ > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019FF00BF550, 16 bytes long.
Data: <@éaå÷ > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019FF00BF370, 16 bytes long.
Data: <øW^å÷ > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019FF00BF320, 16 bytes long.
Data: <ØW^å÷ > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019FF00BFDC0, 16 bytes long.
Data: <P ^å÷ > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019FF00BF2D0, 16 bytes long.
Data: <0 ^å÷ > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019FF00BF230, 16 bytes long.
Data: <à ^å÷ > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019FF00BF190, 16 bytes long.
Data: < ^å÷ > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019FF00BFC30, 16 bytes long.
Data: <p ^å÷ > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019FF00BFCD0, 16 bytes long.
Data: < À\å÷ > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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