Task 38679328

Name test_58-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9630_0
Workunit 31621104
Created 26 Oct 2026, 20:12:09 UTC
Sent 26 Oct 2026, 20:12:09 UTC
Report deadline 31 Oct 2026, 20:12:09 UTC
Received 26 Oct 2026, 20:54:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 34 min 51 sec
CPU time 31 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.59 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:19:59 (23704): wrapper (7.9.26016): starting
22:19:59 (23704): 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
22:20:01 (23704): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:20:01 (23704): 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\24\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\24\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
22:54:23 (23704): C:/Windows/system32/cmd.exe exited; CPU time 1885.984375
22:54:23 (23704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 bytes in 8 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: 36206457 bytes.
Dumping objects ->
{3835256} normal block at 0x0000016FDCDC52D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000016FDCDC4F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000016FDCDC4FC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000016FDCDC57A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000016FDCDC5730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000016FDEABECE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000016FDEA17B40, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835166} normal block at 0x0000016FDCD95840, 8 bytes long.
 Data: <  |&#222;o   > 00 00 7C DE 6F 01 00 00 
{3834558} normal block at 0x0000016FDEA17780, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000016FDCD96510, 8 bytes long.
 Data: <P&#234;&#231;&#220;o   > 50 EA E7 DC 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016FDCDA00E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016FDCDA1160, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000016FDCDA1C60, 16 bytes long.
 Data: <&#248;&&#218;&#220;o           > F8 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016FDCDA1C10, 16 bytes long.
 Data: <&#208;&&#218;&#220;o           > D0 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016FDCD9C370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000016FDCDA1EE0, 16 bytes long.
 Data: <&#168;&&#218;&#220;o           > A8 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016FDCDA1BC0, 16 bytes long.
 Data: <&#128;&&#218;&#220;o           > 80 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016FDCDA1B70, 16 bytes long.
 Data: <X&&#218;&#220;o           > 58 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016FDCDA1F30, 16 bytes long.
 Data: <0&&#218;&#220;o           > 30 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016FDCD9A470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000016FDCDA18A0, 16 bytes long.
 Data: <&#248; &#218;&#220;o           > F8 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016FDCD9C5B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000016FDCDA1A30, 16 bytes long.
 Data: <&#208; &#218;&#220;o           > D0 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016FDCDA15D0, 16 bytes long.
 Data: <&#168; &#218;&#220;o           > A8 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016FDCDA16C0, 16 bytes long.
 Data: <&#128; &#218;&#220;o           > 80 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016FDCDA1760, 16 bytes long.
 Data: <X &#218;&#220;o           > 58 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016FDCDA1DF0, 16 bytes long.
 Data: <0 &#218;&#220;o           > 30 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016FDCDA1670, 16 bytes long.
 Data: <  &#218;&#220;o           > 08 10 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016FDCD9C4F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000016FDCDA1580, 16 bytes long.
 Data: <&#224; &#218;&#220;o           > E0 0F DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016FDCDA0FE0, 320 bytes long.
 Data: <&#128; &#218;&#220;o   &#240;&#196;&#217;&#220;o   > 80 15 DA DC 6F 01 00 00 F0 C4 D9 DC 6F 01 00 00 
{273} normal block at 0x0000016FDCDA20C0, 16 bytes long.
 Data: < &&#218;&#220;o           > 10 26 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016FDCDA19E0, 16 bytes long.
 Data: <&#232;%&#218;&#220;o           > E8 25 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016FDCD9BD70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000016FDCDA2020, 16 bytes long.
 Data: <&#192;%&#218;&#220;o           > C0 25 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016FDCD9C010, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000016FDCDA1940, 16 bytes long.
 Data: < %&#218;&#220;o           > 08 25 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016FDCDA1800, 16 bytes long.
 Data: <&#224;$&#218;&#220;o           > E0 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016FDCDA18F0, 16 bytes long.
 Data: <&#184;$&#218;&#220;o           > B8 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016FDCDA1440, 16 bytes long.
 Data: <&#144;$&#218;&#220;o           > 90 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016FDCDA1FD0, 16 bytes long.
 Data: <h$&#218;&#220;o           > 68 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016FDCDA1B20, 16 bytes long.
 Data: <@$&#218;&#220;o           > 40 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016FDCDA1850, 16 bytes long.
 Data: < &#164;&#217;&#220;o           > 00 A4 D9 DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016FDCD9A400, 40 bytes long.
 Data: <P &#218;&#220;o   &#224;&#236;&#171;&#222;o   > 50 18 DA DC 6F 01 00 00 E0 EC AB DE 6F 01 00 00 
{259} normal block at 0x0000016FDCDA1E40, 16 bytes long.
 Data: < $&#218;&#220;o           > 20 24 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016FDCDA1DA0, 16 bytes long.
 Data: <&#248;#&#218;&#220;o           > F8 23 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016FDCD9BAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000016FDCDA21B0, 16 bytes long.
 Data: <&#208;#&#218;&#220;o           > D0 23 DA DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016FDCDA23D0, 992 bytes long.
 Data: <&#176;!&#218;&#220;o   &#208;&#186;&#217;&#220;o   > B0 21 DA DC 6F 01 00 00 D0 BA D9 DC 6F 01 00 00 
{91} normal block at 0x0000016FDCD9C430, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000016FDCD95E80, 16 bytes long.
 Data: <&#192;&#165;&#217;&#220;o           > C0 A5 D9 DC 6F 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000016FDCD9A5C0, 40 bytes long.
 Data: <&#128;^&#217;&#220;o   0&#196;&#217;&#220;o   > 80 5E D9 DC 6F 01 00 00 30 C4 D9 DC 6F 01 00 00 
{68} normal block at 0x0000016FDCD95DE0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016FDCD96380, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016FDCD95980, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016FDCD96330, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016FDCD96010, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016FDCD96600, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016FDCD96240, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016FDCD95A20, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016FDCD959D0, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016FDCD96290, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra