Task 38679307

Name test_143-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7187_0
Workunit 31621086
Created 26 Oct 2026, 20:08:58 UTC
Sent 26 Oct 2026, 20:09:02 UTC
Report deadline 31 Oct 2026, 20:09:02 UTC
Received 26 Oct 2026, 21:50:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 34 min 14 sec
CPU time 34 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.93 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:18:38 (11416): wrapper (7.9.26016): starting
14:18:38 (11416): 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
14:18:40 (11416): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:18:40 (11416): 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\4\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\4\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
14:49:58 (11416): C:/Windows/system32/cmd.exe exited; CPU time 2054.265625
14:49:58 (11416): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 31876021 bytes.
Dumping objects ->
{3835233} normal block at 0x000001F0909E0D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x000001F0909E1170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000001F0909E1100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x000001F0909E0DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x000001F0909E14F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x000001F090AD5420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000001F090AECAA0, 102 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) : {3835144} normal block at 0x000001F08EE37F80, 8 bytes long.
 Data: <  &#220;&#142;&#240;   > 00 00 DC 8E F0 01 00 00 
{3834540} normal block at 0x000001F090AED230, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001F08EE387F0, 8 bytes long.
 Data: < &#234;&#158; &#240;   > 00 EA 9E 90 F0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F08EE25F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F08EE2AF50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F08EE42830, 16 bytes long.
 Data: < M&#228;&#142;&#240;           > 98 4D E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F08EE427E0, 16 bytes long.
 Data: <pM&#228;&#142;&#240;           > 70 4D E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F08EE3D380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F08EE42740, 16 bytes long.
 Data: <HM&#228;&#142;&#240;           > 48 4D E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F08EE42FB0, 16 bytes long.
 Data: < M&#228;&#142;&#240;           > 20 4D E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F08EE435F0, 16 bytes long.
 Data: <&#248;L&#228;&#142;&#240;           > F8 4C E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F08EE43370, 16 bytes long.
 Data: <&#208;L&#228;&#142;&#240;           > D0 4C E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F08EE3E260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F08EE42E70, 16 bytes long.
 Data: <h&#207;&#226;&#142;&#240;           > 68 CF E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F08EE3D1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F08EE430A0, 16 bytes long.
 Data: <@&#207;&#226;&#142;&#240;           > 40 CF E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F08EE42C90, 16 bytes long.
 Data: < &#207;&#226;&#142;&#240;           > 18 CF E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F08EE426F0, 16 bytes long.
 Data: <&#240;&#206;&#226;&#142;&#240;           > F0 CE E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F08EE43000, 16 bytes long.
 Data: <&#200;&#206;&#226;&#142;&#240;           > C8 CE E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F08EE43320, 16 bytes long.
 Data: <&#160;&#206;&#226;&#142;&#240;           > A0 CE E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F08EE42B50, 16 bytes long.
 Data: <x&#206;&#226;&#142;&#240;           > 78 CE E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F08EE3CF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F08EE432D0, 16 bytes long.
 Data: <P&#206;&#226;&#142;&#240;           > 50 CE E2 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F08EE2CE50, 320 bytes long.
 Data: <&#208;2&#228;&#142;&#240;   `&#207;&#227;&#142;&#240;   > D0 32 E4 8E F0 01 00 00 60 CF E3 8E F0 01 00 00 
{275} normal block at 0x000001F08EE42790, 16 bytes long.
 Data: <&#176;L&#228;&#142;&#240;           > B0 4C E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F08EE43230, 16 bytes long.
 Data: < L&#228;&#142;&#240;           > 88 4C E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F08EE3CD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F08EE43410, 16 bytes long.
 Data: <`L&#228;&#142;&#240;           > 60 4C E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F08EE3CF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F08EE43280, 16 bytes long.
 Data: <&#168;K&#228;&#142;&#240;           > A8 4B E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F08EE42DD0, 16 bytes long.
 Data: < K&#228;&#142;&#240;           > 80 4B E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F08EE430F0, 16 bytes long.
 Data: <XK&#228;&#142;&#240;           > 58 4B E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F08EE42E20, 16 bytes long.
 Data: <0K&#228;&#142;&#240;           > 30 4B E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F08EE43050, 16 bytes long.
 Data: < K&#228;&#142;&#240;           > 08 4B E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F08EE431E0, 16 bytes long.
 Data: <&#224;J&#228;&#142;&#240;           > E0 4A E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F08EE43190, 16 bytes long.
 Data: <&#192;&#230;&#227;&#142;&#240;           > C0 E6 E3 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F08EE3E6C0, 40 bytes long.
 Data: < 1&#228;&#142;&#240;    T&#173; &#240;   > 90 31 E4 8E F0 01 00 00 20 54 AD 90 F0 01 00 00 
{261} normal block at 0x000001F08EE43500, 16 bytes long.
 Data: <&#192;J&#228;&#142;&#240;           > C0 4A E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F08EE43140, 16 bytes long.
 Data: < J&#228;&#142;&#240;           > 98 4A E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F08EE3C960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F08EE42B00, 16 bytes long.
 Data: <pJ&#228;&#142;&#240;           > 70 4A E4 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F08EE44A70, 992 bytes long.
 Data: < +&#228;&#142;&#240;   `&#201;&#227;&#142;&#240;   > 00 2B E4 8E F0 01 00 00 60 C9 E3 8E F0 01 00 00 
{93} normal block at 0x000001F08EE3C7E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F08EE37FD0, 16 bytes long.
 Data: <P&#230;&#227;&#142;&#240;           > 50 E6 E3 8E F0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F08EE3E650, 40 bytes long.
 Data: <&#208; &#227;&#142;&#240;   &#224;&#199;&#227;&#142;&#240;   > D0 7F E3 8E F0 01 00 00 E0 C7 E3 8E F0 01 00 00 
{70} normal block at 0x000001F08EE38700, 16 bytes long.
 Data: < &#234;&#183;&#192;&#246;           > 80 EA B7 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F08EE37A30, 16 bytes long.
 Data: <@&#233;&#183;&#192;&#246;           > 40 E9 B7 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F08EE37E40, 16 bytes long.
 Data: <&#248;W&#180;&#192;&#246;           > F8 57 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F08EE37DF0, 16 bytes long.
 Data: <&#216;W&#180;&#192;&#246;           > D8 57 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F08EE382F0, 16 bytes long.
 Data: <P &#180;&#192;&#246;           > 50 04 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F08EE37DA0, 16 bytes long.
 Data: <0 &#180;&#192;&#246;           > 30 04 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F08EE386B0, 16 bytes long.
 Data: <&#224; &#180;&#192;&#246;           > E0 02 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F08EE37EE0, 16 bytes long.
 Data: <  &#180;&#192;&#246;           > 10 04 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F08EE38430, 16 bytes long.
 Data: <p &#180;&#192;&#246;           > 70 04 B4 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F08EE384D0, 16 bytes long.
 Data: < &#192;&#178;&#192;&#246;           > 18 C0 B2 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra