Task 38660013
| Name | test_900-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND5878_0 |
| Workunit | 31603544 |
| Created | 24 Oct 2026, 13:43:18 UTC |
| Sent | 24 Oct 2026, 13:50:06 UTC |
| Report deadline | 29 Oct 2026, 13:50:06 UTC |
| Received | 24 Oct 2026, 15:41:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654681 |
| Run time | 35 min 6 sec |
| CPU time | 33 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,564.90 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.67 MB |
| Peak swap size | 6.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:06:31 (30696): wrapper (7.9.26016): starting
12:06:31 (30696): 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
12:06:32 (30696): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:06:32 (30696): 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 'D:\APPs\BOINC\Data\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 'D:\APPs\BOINC\Data\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
12:40:57 (30696): C:/Windows/system32/cmd.exe exited; CPU time 2024.859375
12:40:57 (30696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 39805347 bytes.
Dumping objects ->
{3835626} normal block at 0x0000020DE026AFC0, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835615} normal block at 0x0000020DE22524A0, 32 bytes long.
Data: <HOME=D:\APPs\BOI> 48 4F 4D 45 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835604} normal block at 0x0000020DE2252AA0, 32 bytes long.
Data: <TMP=D:\APPs\BOIN> 54 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49 4E
{3835593} normal block at 0x0000020DE2251DE0, 32 bytes long.
Data: <TEMP=D:\APPs\BOI> 54 45 4D 50 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
{3835582} normal block at 0x0000020DE02459D0, 48 bytes long.
Data: <TMPDIR=D:\APPs\B> 54 4D 50 44 49 52 3D 44 3A 5C 41 50 50 73 5C 42
{3835551} normal block at 0x0000020DE0245730, 48 bytes long.
Data: <PATH=D:\APPs\BOI> 50 41 54 48 3D 44 3A 5C 41 50 50 73 5C 42 4F 49
..\api\boinc_api.cpp(309) : {3835538} normal block at 0x0000020DE023DE10, 8 bytes long.
Data: < ! > 00 00 21 E0 0D 02 00 00
{3834065} normal block at 0x0000020DE023E400, 8 bytes long.
Data: < Z& > 20 5A 26 E2 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000020DE0241B90, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000020DE0237110, 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 0x0000020DE0246930, 16 bytes long.
Data: <8u$ > 38 75 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020DE0247150, 16 bytes long.
Data: < u$ > 10 75 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000020DE0240120, 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 0x0000020DE0246840, 16 bytes long.
Data: < t$ > E8 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020DE0246C00, 16 bytes long.
Data: < t$ > C0 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020DE02465C0, 16 bytes long.
Data: < t$ > 98 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020DE0246B10, 16 bytes long.
Data: <pt$ > 70 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020DE0245AB0, 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 0x0000020DE0246250, 16 bytes long.
Data: < " > A8 BC 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020DE023FE80, 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 0x0000020DE02471A0, 16 bytes long.
Data: < " > 80 BC 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020DE0247100, 16 bytes long.
Data: <X " > 58 BC 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020DE0246BB0, 16 bytes long.
Data: <0 " > 30 BC 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020DE0247010, 16 bytes long.
Data: < " > 08 BC 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020DE0246C50, 16 bytes long.
Data: < " > E0 BB 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020DE0246570, 16 bytes long.
Data: < " > B8 BB 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020DE023FFA0, 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 0x0000020DE0246340, 16 bytes long.
Data: < " > 90 BB 22 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020DE022BB90, 320 bytes long.
Data: <@c$ # > 40 63 24 E0 0D 02 00 00 A0 FF 23 E0 0D 02 00 00
{278} normal block at 0x0000020DE0246480, 16 bytes long.
Data: <Pt$ > 50 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020DE02467F0, 16 bytes long.
Data: <(t$ > 28 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020DE023FA00, 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 0x0000020DE02467A0, 16 bytes long.
Data: < t$ > 00 74 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020DE02404E0, 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 0x0000020DE02468E0, 16 bytes long.
Data: <Hs$ > 48 73 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020DE0246700, 16 bytes long.
Data: < s$ > 20 73 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020DE0246660, 16 bytes long.
Data: < r$ > F8 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020DE02462F0, 16 bytes long.
Data: < r$ > D0 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020DE0246610, 16 bytes long.
Data: < r$ > A8 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020DE02462A0, 16 bytes long.
Data: < r$ > 80 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020DE0246520, 16 bytes long.
Data: < [$ > 90 5B 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020DE0245B90, 40 bytes long.
Data: < e$ 0W$ > 20 65 24 E0 0D 02 00 00 30 57 24 E0 0D 02 00 00
{264} normal block at 0x0000020DE0246750, 16 bytes long.
Data: <`r$ > 60 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020DE02466B0, 16 bytes long.
Data: <8r$ > 38 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020DE023FB80, 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 0x0000020DE0246890, 16 bytes long.
Data: < r$ > 10 72 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020DE0247210, 992 bytes long.
Data: < h$ # > 90 68 24 E0 0D 02 00 00 80 FB 23 E0 0D 02 00 00
{96} normal block at 0x0000020DE0240480, 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 0x0000020DE023DBE0, 16 bytes long.
Data: < X$ > F0 58 24 E0 0D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000020DE02458F0, 40 bytes long.
Data: < # $ > E0 DB 23 E0 0D 02 00 00 80 04 24 E0 0D 02 00 00
{71} normal block at 0x0000020DE023DFA0, 16 bytes long.
Data: < 0 > 80 EA 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020DE023DB40, 16 bytes long.
Data: <@ 0 > 40 E9 30 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020DE023DAA0, 16 bytes long.
Data: < W- > F8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020DE023DC80, 16 bytes long.
Data: < W- > D8 57 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020DE023E3B0, 16 bytes long.
Data: <P - > 50 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020DE023DCD0, 16 bytes long.
Data: <0 - > 30 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020DE023DA50, 16 bytes long.
Data: < - > E0 02 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020DE023E950, 16 bytes long.
Data: < - > 10 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020DE023E8B0, 16 bytes long.
Data: <p - > 70 04 2D 20 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020DE023E540, 16 bytes long.
Data: < + > 18 C0 2B 20 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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