Task 38685193

Name test_144-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4123_0
Workunit 31626670
Created 27 Oct 2026, 19:53:13 UTC
Sent 27 Oct 2026, 19:53:18 UTC
Report deadline 1 Nov 2026, 19:53:18 UTC
Received 27 Oct 2026, 20:35:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 38 sec
CPU time 18 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.29 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>
16:14:58 (29460): wrapper (7.9.26016): starting
16:14:58 (29460): 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
16:14:59 (29460): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:14:59 (29460): 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\12\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\12\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
16:34:46 (29460): C:/Windows/system32/cmd.exe exited; CPU time 1124.437500
16:34:46 (29460): 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: 20434453 bytes.
Dumping objects ->
{3835237} normal block at 0x000001FF34AACD50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001FF34AADBC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000001FF34AAD920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000001FF32E34740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000001FF32E34A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000001FF34AF7F00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000001FF34B0E710, 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) : {3835148} normal block at 0x000001FF32E31610, 8 bytes long.
 Data: <  .3&#255;   > 00 00 2E 33 FF 01 00 00 
{3834547} normal block at 0x000001FF34B0E5B0, 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 0x000001FF32E308F0, 8 bytes long.
 Data: <p2&#181;4&#255;   > 70 32 B5 34 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FF32E26150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FF32E27140, 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 0x000001FF32E361A0, 16 bytes long.
 Data: <&#184;U&#227;2&#255;           > B8 55 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF32E36150, 16 bytes long.
 Data: < U&#227;2&#255;           > 90 55 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FF32E30100, 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 0x000001FF32E35F70, 16 bytes long.
 Data: <hU&#227;2&#255;           > 68 55 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF32E357A0, 16 bytes long.
 Data: <@U&#227;2&#255;           > 40 55 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF32E36330, 16 bytes long.
 Data: < U&#227;2&#255;           > 18 55 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FF32E359D0, 16 bytes long.
 Data: <&#240;T&#227;2&#255;           > F0 54 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF32E34B30, 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 0x000001FF32E36290, 16 bytes long.
 Data: <&#168;&#184;&#225;2&#255;           > A8 B8 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF32E2F8C0, 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 0x000001FF32E35D90, 16 bytes long.
 Data: < &#184;&#225;2&#255;           > 80 B8 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF32E35CA0, 16 bytes long.
 Data: <X&#184;&#225;2&#255;           > 58 B8 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF32E35D40, 16 bytes long.
 Data: <0&#184;&#225;2&#255;           > 30 B8 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FF32E365B0, 16 bytes long.
 Data: < &#184;&#225;2&#255;           > 08 B8 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF32E35F20, 16 bytes long.
 Data: <&#224;&#183;&#225;2&#255;           > E0 B7 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FF32E35DE0, 16 bytes long.
 Data: <&#184;&#183;&#225;2&#255;           > B8 B7 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FF32E2FE60, 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 0x000001FF32E36010, 16 bytes long.
 Data: < &#183;&#225;2&#255;           > 90 B7 E1 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF32E1B790, 320 bytes long.
 Data: < `&#227;2&#255;   `&#254;&#226;2&#255;   > 10 60 E3 32 FF 01 00 00 60 FE E2 32 FF 01 00 00 
{275} normal block at 0x000001FF32E364C0, 16 bytes long.
 Data: <&#208;T&#227;2&#255;           > D0 54 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FF32E36240, 16 bytes long.
 Data: <&#168;T&#227;2&#255;           > A8 54 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF32E2F860, 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 0x000001FF32E35BB0, 16 bytes long.
 Data: < T&#227;2&#255;           > 80 54 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF32E30040, 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 0x000001FF32E35B10, 16 bytes long.
 Data: <&#200;S&#227;2&#255;           > C8 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FF32E35B60, 16 bytes long.
 Data: <&#160;S&#227;2&#255;           > A0 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF32E35ED0, 16 bytes long.
 Data: <xS&#227;2&#255;           > 78 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF32E35AC0, 16 bytes long.
 Data: <PS&#227;2&#255;           > 50 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FF32E30B20, 16 bytes long.
 Data: <(S&#227;2&#255;           > 28 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF32E30A30, 16 bytes long.
 Data: < S&#227;2&#255;           > 00 53 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF32E30990, 16 bytes long.
 Data: <&#208;M&#227;2&#255;           > D0 4D E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FF32E34DD0, 40 bytes long.
 Data: < 	&#227;2&#255;     &#175;4&#255;   > 90 09 E3 32 FF 01 00 00 00 7F AF 34 FF 01 00 00 
{261} normal block at 0x000001FF32E30DF0, 16 bytes long.
 Data: <&#224;R&#227;2&#255;           > E0 52 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FF32E30940, 16 bytes long.
 Data: <&#184;R&#227;2&#255;           > B8 52 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FF32E304C0, 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 0x000001FF32E30800, 16 bytes long.
 Data: < R&#227;2&#255;           > 90 52 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FF32E35290, 992 bytes long.
 Data: <  &#227;2&#255;   &#192; &#227;2&#255;   > 00 08 E3 32 FF 01 00 00 C0 04 E3 32 FF 01 00 00 
{93} normal block at 0x000001FF32E30520, 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 0x000001FF32E312A0, 16 bytes long.
 Data: < H&#227;2&#255;           > 20 48 E3 32 FF 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FF32E34820, 40 bytes long.
 Data: <&#160; &#227;2&#255;     &#227;2&#255;   > A0 12 E3 32 FF 01 00 00 20 05 E3 32 FF 01 00 00 
{70} normal block at 0x000001FF32E30F80, 16 bytes long.
 Data: < &#234;'&#250;&#246;           > 80 EA 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FF32E31520, 16 bytes long.
 Data: <@&#233;'&#250;&#246;           > 40 E9 27 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FF32E314D0, 16 bytes long.
 Data: <&#248;W$&#250;&#246;           > F8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FF32E31340, 16 bytes long.
 Data: <&#216;W$&#250;&#246;           > D8 57 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FF32E30B70, 16 bytes long.
 Data: <P $&#250;&#246;           > 50 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FF32E310C0, 16 bytes long.
 Data: <0 $&#250;&#246;           > 30 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FF32E30F30, 16 bytes long.
 Data: <&#224; $&#250;&#246;           > E0 02 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FF32E309E0, 16 bytes long.
 Data: <  $&#250;&#246;           > 10 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FF32E31250, 16 bytes long.
 Data: <p $&#250;&#246;           > 70 04 24 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FF32E31430, 16 bytes long.
 Data: < &#192;"&#250;&#246;           > 18 C0 22 FA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra