Task 38684450
| Name | test_151-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9594_0 |
| Workunit | 31625965 |
| Created | 27 Oct 2026, 16:23:24 UTC |
| Sent | 27 Oct 2026, 16:23:28 UTC |
| Report deadline | 1 Nov 2026, 16:23:28 UTC |
| Received | 27 Oct 2026, 17:32:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652497 |
| Run time | 21 min 6 sec |
| CPU time | 15 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 57,419.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.80 MB |
| Peak swap size | 13.04 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:11:44 (32032): wrapper (7.9.26016): starting
12:11:44 (32032): 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
12:11:45 (32032): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:11:45 (32032): 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
12:32:02 (32032): C:/Windows/system32/cmd.exe exited; CPU time 952.953125
12:32:02 (32032): 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: 22635545 bytes.
Dumping objects ->
{3835193} normal block at 0x000001DD46F9D730, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001DD46F9D030, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835171} normal block at 0x000001DD46F9D420, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835160} normal block at 0x000001DD46F9D880, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x000001DD46F9D810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835118} normal block at 0x000001DD48D3FBB0, 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) : {3835105} normal block at 0x000001DD46F8CB80, 8 bytes long.
Data: < öFÝ > 00 00 F6 46 DD 01 00 00
{3833951} normal block at 0x000001DD46F8CB30, 8 bytes long.
Data: <@êÄHÝ > 40 EA C4 48 DD 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001DD46F8DC80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DD46F8A300, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001DD46F9DB80, 16 bytes long.
Data: < îùFÝ > 18 EE F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DD46F9E300, 16 bytes long.
Data: <ðíùFÝ > F0 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DD46F9A2B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001DD46F9DC70, 16 bytes long.
Data: <ÈíùFÝ > C8 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DD46F9E260, 16 bytes long.
Data: < íùFÝ > A0 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DD46F9DB30, 16 bytes long.
Data: <xíùFÝ > 78 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DD46F9E7B0, 16 bytes long.
Data: <PíùFÝ > 50 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DD46F99F00, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001DD46F9DDB0, 16 bytes long.
Data: <8ºøFÝ > 38 BA F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DD46F9ABB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001DD46F9E1C0, 16 bytes long.
Data: < ºøFÝ > 10 BA F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DD46F9DD60, 16 bytes long.
Data: <è¹øFÝ > E8 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DD46F9E670, 16 bytes long.
Data: <À¹øFÝ > C0 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DD46F9E120, 16 bytes long.
Data: < ¹øFÝ > 98 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DD46F9E760, 16 bytes long.
Data: <p¹øFÝ > 70 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DD46F9E0D0, 16 bytes long.
Data: <H¹øFÝ > 48 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DD46F9A430, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001DD46F9E4E0, 16 bytes long.
Data: < ¹øFÝ > 20 B9 F8 46 DD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DD46F8B920, 320 bytes long.
Data: <àäùFÝ 0¤ùFÝ > E0 E4 F9 46 DD 01 00 00 30 A4 F9 46 DD 01 00 00
{271} normal block at 0x000001DD46F9EA80, 16 bytes long.
Data: <0íùFÝ > 30 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DD46F9E710, 16 bytes long.
Data: < íùFÝ > 08 ED F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DD46F9AA30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001DD46F9E940, 16 bytes long.
Data: <àìùFÝ > E0 EC F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DD46F9A1F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001DD46F9E490, 16 bytes long.
Data: <(ìùFÝ > 28 EC F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DD46F9EA30, 16 bytes long.
Data: < ìùFÝ > 00 EC F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DD46F9E8F0, 16 bytes long.
Data: <ØëùFÝ > D8 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DD46F9E990, 16 bytes long.
Data: <°ëùFÝ > B0 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DD46F9E8A0, 16 bytes long.
Data: < ëùFÝ > 88 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DD46F9E800, 16 bytes long.
Data: <`ëùFÝ > 60 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DD46F9DC20, 16 bytes long.
Data: <0šùFÝ > 30 9A F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DD46F99A30, 40 bytes long.
Data: < ÜùFÝ °ûÓHÝ > 20 DC F9 46 DD 01 00 00 B0 FB D3 48 DD 01 00 00
{257} normal block at 0x000001DD46F9DFE0, 16 bytes long.
Data: <@ëùFÝ > 40 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001DD46F9E850, 16 bytes long.
Data: < ëùFÝ > 18 EB F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001DD46F9AC70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001DD46F9E350, 16 bytes long.
Data: <ðêùFÝ > F0 EA F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001DD46F9EAF0, 992 bytes long.
Data: <PãùFÝ p¬ùFÝ > 50 E3 F9 46 DD 01 00 00 70 AC F9 46 DD 01 00 00
{89} normal block at 0x000001DD46F9AC10, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001DD46F8CE00, 16 bytes long.
Data: <à ùFÝ > E0 98 F9 46 DD 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001DD46F998E0, 40 bytes long.
Data: < ÎøFÝ ¬ùFÝ > 00 CE F8 46 DD 01 00 00 10 AC F9 46 DD 01 00 00
{66} normal block at 0x000001DD46F8D080, 16 bytes long.
Data: < ê/èö > 80 EA 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DD46F8D030, 16 bytes long.
Data: <@é/èö > 40 E9 2F E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DD46F8C9A0, 16 bytes long.
Data: <øW,èö > F8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DD46F8C4A0, 16 bytes long.
Data: <ØW,èö > D8 57 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DD46F8C3B0, 16 bytes long.
Data: <P ,èö > 50 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DD46F8C900, 16 bytes long.
Data: <0 ,èö > 30 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001DD46F8CF90, 16 bytes long.
Data: <à ,èö > E0 02 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001DD46F8CF40, 16 bytes long.
Data: < ,èö > 10 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001DD46F8CC20, 16 bytes long.
Data: <p ,èö > 70 04 2C E8 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001DD46F8C7C0, 16 bytes long.
Data: < À*èö > 18 C0 2A E8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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