Task 38657241
| Name | test_348-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND2759_0 |
| Workunit | 31600909 |
| Created | 24 Oct 2026, 11:27:29 UTC |
| Sent | 24 Oct 2026, 11:33:13 UTC |
| Report deadline | 29 Oct 2026, 11:33:13 UTC |
| Received | 24 Oct 2026, 12:50:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652623 |
| Run time | 23 min 6 sec |
| CPU time | 22 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.77 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:27:58 (46596): wrapper (7.9.26016): starting
08:27:58 (46596): 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
08:27:59 (46596): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:27:59 (46596): 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\16\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\16\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
08:50:10 (46596): C:/Windows/system32/cmd.exe exited; CPU time 1323.062500
08:50:10 (46596): 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: 32449045 bytes.
Dumping objects ->
{3835439} normal block at 0x000001FF4F8CD650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835428} normal block at 0x000001FF4DB457B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000001FF4DB455F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835406} normal block at 0x000001FF4DB45580, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835395} normal block at 0x000001FF4DB45740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835364} normal block at 0x000001FF4F919280, 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) : {3835351} normal block at 0x000001FF4DB40910, 8 bytes long.
Data: < eOÿ > 00 00 65 4F FF 01 00 00
{3833967} normal block at 0x000001FF4DB400A0, 8 bytes long.
Data: < F—Oÿ > 00 46 97 4F FF 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FF4DB42500, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FF4DB311E0, 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 0x000001FF4DB46C10, 16 bytes long.
Data: <Øq´Mÿ > D8 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FF4DB46620, 16 bytes long.
Data: <°q´Mÿ > B0 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FF4DB3E6C0, 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 0x000001FF4DB462B0, 16 bytes long.
Data: < q´Mÿ > 88 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FF4DB46260, 16 bytes long.
Data: <`q´Mÿ > 60 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FF4DB45F40, 16 bytes long.
Data: <8q´Mÿ > 38 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FF4DB46350, 16 bytes long.
Data: < q´Mÿ > 10 71 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FF4DB456D0, 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 0x000001FF4DB46940, 16 bytes long.
Data: <xõ²Mÿ > 78 F5 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FF4DB3DFA0, 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 0x000001FF4DB465D0, 16 bytes long.
Data: <Põ²Mÿ > 50 F5 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FF4DB46210, 16 bytes long.
Data: <(õ²Mÿ > 28 F5 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FF4DB46080, 16 bytes long.
Data: < õ²Mÿ > 00 F5 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FF4DB46B70, 16 bytes long.
Data: <Øô²Mÿ > D8 F4 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FF4DB46E40, 16 bytes long.
Data: <°ô²Mÿ > B0 F4 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FF4DB46300, 16 bytes long.
Data: < ô²Mÿ > 88 F4 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FF4DB3E480, 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 0x000001FF4DB46B20, 16 bytes long.
Data: <`ô²Mÿ > 60 F4 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FF4DB2F460, 320 bytes long.
Data: < k´Mÿ ä³Mÿ > 20 6B B4 4D FF 01 00 00 80 E4 B3 4D FF 01 00 00
{279} normal block at 0x000001FF4DB46580, 16 bytes long.
Data: <ðp´Mÿ > F0 70 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FF4DB461C0, 16 bytes long.
Data: <Èp´Mÿ > C8 70 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FF4DB3DE80, 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 0x000001FF4DB46BC0, 16 bytes long.
Data: < p´Mÿ > A0 70 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FF4DB3E300, 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 0x000001FF4DB46A80, 16 bytes long.
Data: <èo´Mÿ > E8 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FF4DB468A0, 16 bytes long.
Data: <Ào´Mÿ > C0 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FF4DB46D50, 16 bytes long.
Data: < o´Mÿ > 98 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FF4DB46D00, 16 bytes long.
Data: <po´Mÿ > 70 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FF4DB464E0, 16 bytes long.
Data: <Ho´Mÿ > 48 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FF4DB46490, 16 bytes long.
Data: < o´Mÿ > 20 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FF4DB46030, 16 bytes long.
Data: < X´Mÿ > 20 58 B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FF4DB45820, 40 bytes long.
Data: <0`´Mÿ ’‘Oÿ > 30 60 B4 4D FF 01 00 00 80 92 91 4F FF 01 00 00
{265} normal block at 0x000001FF4DB46440, 16 bytes long.
Data: < o´Mÿ > 00 6F B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FF4DB45FE0, 16 bytes long.
Data: <Øn´Mÿ > D8 6E B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FF4DB3E3C0, 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 0x000001FF4DB469E0, 16 bytes long.
Data: <°n´Mÿ > B0 6E B4 4D FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FF4DB46EB0, 992 bytes long.
Data: <ài´Mÿ Àã³Mÿ > E0 69 B4 4D FF 01 00 00 C0 E3 B3 4D FF 01 00 00
{97} normal block at 0x000001FF4DB3E060, 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 0x000001FF4DB3FD30, 16 bytes long.
Data: < ñ²Mÿ > 80 F1 B2 4D FF 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FF4DB2F180, 40 bytes long.
Data: <0ý³Mÿ `à³Mÿ > 30 FD B3 4D FF 01 00 00 60 E0 B3 4D FF 01 00 00
{74} normal block at 0x000001FF4DB40780, 16 bytes long.
Data: < ê)C÷ > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FF4DB40730, 16 bytes long.
Data: <@é)C÷ > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FF4DB40870, 16 bytes long.
Data: <øW&C÷ > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FF4DB40960, 16 bytes long.
Data: <ØW&C÷ > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FF4DB3FC90, 16 bytes long.
Data: <P &C÷ > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FF4DB40690, 16 bytes long.
Data: <0 &C÷ > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FF4DB402D0, 16 bytes long.
Data: <à &C÷ > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FF4DB406E0, 16 bytes long.
Data: < &C÷ > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FF4DB400F0, 16 bytes long.
Data: <p &C÷ > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FF4DB40370, 16 bytes long.
Data: < À$C÷ > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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