Task 38664702

Name test_244-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8768_0
Workunit 31607833
Created 24 Oct 2026, 23:56:06 UTC
Sent 24 Oct 2026, 23:56:13 UTC
Report deadline 29 Oct 2026, 23:56:13 UTC
Received 25 Oct 2026, 19:54:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653921
Run time 12 hours 57 min 52 sec
CPU time 12 hours 57 min 52 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 683.52 MB
Peak swap size 6.83 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:08:29 (33384): wrapper (7.9.26016): starting
11:08:29 (33384): 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
11:08:32 (33384): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:08:32 (33384): 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
00:53:34 (33384): C:/Windows/system32/cmd.exe exited; CPU time 46672.578125
00:53:34 (33384): 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: 1065331451 bytes.
Dumping objects ->
{3835177} normal block at 0x00000185664AB840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835166} normal block at 0x00000185664AAEA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000185664AB8B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835144} normal block at 0x00000185664AB140, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000185664AB0D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835102} normal block at 0x00000185680494C0, 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) : {3835089} normal block at 0x0000018566488540, 8 bytes long.
 Data: <  @f&#133;   > 00 00 40 66 85 01 00 00 
{3833949} normal block at 0x0000018566488720, 8 bytes long.
 Data: < &#228;&#245;g&#133;   > 20 E4 F5 67 85 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001856646A930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000185664696F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000018566488360, 16 bytes long.
 Data: <&#200;|Hf&#133;           > C8 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018566487E10, 16 bytes long.
 Data: <&#160;|Hf&#133;           > A0 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001856647A9F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000018566487E60, 16 bytes long.
 Data: <x|Hf&#133;           > 78 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018566488860, 16 bytes long.
 Data: <P|Hf&#133;           > 50 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018566483E70, 16 bytes long.
 Data: <(|Hf&#133;           > 28 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000185664841E0, 16 bytes long.
 Data: < |Hf&#133;           > 00 7C 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000185664826F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000018566484230, 16 bytes long.
 Data: <  Ff&#133;           > 88 B9 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001856647A870, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000018566483DD0, 16 bytes long.
 Data: <` Ff&#133;           > 60 B9 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018566484140, 16 bytes long.
 Data: <8 Ff&#133;           > 38 B9 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000185664840F0, 16 bytes long.
 Data: <  Ff&#133;           > 10 B9 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018566484370, 16 bytes long.
 Data: <&#232;&#184;Ff&#133;           > E8 B8 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018566483D80, 16 bytes long.
 Data: <&#192;&#184;Ff&#133;           > C0 B8 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000185664840A0, 16 bytes long.
 Data: < &#184;Ff&#133;           > 98 B8 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001856647B590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000185664847D0, 16 bytes long.
 Data: <p&#184;Ff&#133;           > 70 B8 46 66 85 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001856646B870, 320 bytes long.
 Data: <&#208;GHf&#133;   &#144;&#181;Gf&#133;   > D0 47 48 66 85 01 00 00 90 B5 47 66 85 01 00 00 
{270} normal block at 0x0000018566484730, 16 bytes long.
 Data: <&#224;{Hf&#133;           > E0 7B 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018566484690, 16 bytes long.
 Data: <&#184;{Hf&#133;           > B8 7B 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001856647B470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000018566484640, 16 bytes long.
 Data: <&#144;{Hf&#133;           > 90 7B 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001856647A8D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000185664846E0, 16 bytes long.
 Data: <&#216;zHf&#133;           > D8 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018566484050, 16 bytes long.
 Data: <&#176;zHf&#133;           > B0 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018566484410, 16 bytes long.
 Data: < zHf&#133;           > 88 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018566484000, 16 bytes long.
 Data: <`zHf&#133;           > 60 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018566483EC0, 16 bytes long.
 Data: <8zHf&#133;           > 38 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018566484B40, 16 bytes long.
 Data: < zHf&#133;           > 10 7A 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000018566484AA0, 16 bytes long.
 Data: <P+Hf&#133;           > 50 2B 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018566482B50, 40 bytes long.
 Data: <&#160;JHf&#133;   &#192;&#148; h&#133;   > A0 4A 48 66 85 01 00 00 C0 94 04 68 85 01 00 00 
{256} normal block at 0x0000018566483FB0, 16 bytes long.
 Data: <&#240;yHf&#133;           > F0 79 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000018566484CD0, 16 bytes long.
 Data: <&#200;yHf&#133;           > C8 79 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001856647AA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000018566484A50, 16 bytes long.
 Data: <&#160;yHf&#133;           > A0 79 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000185664879A0, 992 bytes long.
 Data: <PJHf&#133;   P&#170;Gf&#133;   > 50 4A 48 66 85 01 00 00 50 AA 47 66 85 01 00 00 
{88} normal block at 0x000001856647B2F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000018566483F60, 16 bytes long.
 Data: <&#192;+Hf&#133;           > C0 2B 48 66 85 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000018566482BC0, 40 bytes long.
 Data: <`?Hf&#133;   &#240;&#178;Gf&#133;   > 60 3F 48 66 85 01 00 00 F0 B2 47 66 85 01 00 00 
{65} normal block at 0x0000018566484460, 16 bytes long.
 Data: <&#128;&#234;&#211;&#168;&#247;           > 80 EA D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018566484AF0, 16 bytes long.
 Data: <@&#233;&#211;&#168;&#247;           > 40 E9 D3 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000185664843C0, 16 bytes long.
 Data: <&#248;W&#208;&#168;&#247;           > F8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018566484960, 16 bytes long.
 Data: <&#216;W&#208;&#168;&#247;           > D8 57 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018566484820, 16 bytes long.
 Data: <P &#208;&#168;&#247;           > 50 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000185664792C0, 16 bytes long.
 Data: <0 &#208;&#168;&#247;           > 30 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000185664791D0, 16 bytes long.
 Data: <&#224; &#208;&#168;&#247;           > E0 02 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018566478F00, 16 bytes long.
 Data: <  &#208;&#168;&#247;           > 10 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018566479180, 16 bytes long.
 Data: <p &#208;&#168;&#247;           > 70 04 D0 A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000185664790E0, 16 bytes long.
 Data: < &#192;&#206;&#168;&#247;           > 18 C0 CE A8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra