Task 38687247

Name test_803-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8253_0
Workunit 31628641
Created 28 Oct 2026, 6:45:37 UTC
Sent 28 Oct 2026, 6:45:42 UTC
Report deadline 2 Nov 2026, 6:45:42 UTC
Received 28 Oct 2026, 7:00:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 27 sec
CPU time 11 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.58 MB
Peak swap size 13.14 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:46:32 (19544): wrapper (7.9.26016): starting
07:46:32 (19544): 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
07:46:33 (19544): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:46:33 (19544): 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
07:59:25 (19544): C:/Windows/system32/cmd.exe exited; CPU time 699.343750
07:59:25 (19544): 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: 10556813 bytes.
Dumping objects ->
{3835237} normal block at 0x000001D0ED66D810, 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 0x000001D0ED66E0D0, 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 0x000001D0ED66D3B0, 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 0x000001D0ED66DB90, 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 0x000001D0EBA349A0, 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 0x000001D0ED6B4800, 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 0x000001D0ED6CE890, 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 0x000001D0EBA2DD70, 8 bytes long.
 Data: <  &#223;&#235;&#208;   > 00 00 DF EB D0 01 00 00 
{3834544} normal block at 0x000001D0ED6CEF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001D0EBA2D960, 8 bytes long.
 Data: <@&#228;&#176;&#235;&#208;   > 40 E4 B0 EB D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001D0EBA31950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D0EBA26000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D0EBA36400, 16 bytes long.
 Data: <xi&#163;&#235;&#208;           > 78 69 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0EBA35910, 16 bytes long.
 Data: <Pi&#163;&#235;&#208;           > 50 69 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D0EBA2FA60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D0EBA35DC0, 16 bytes long.
 Data: <(i&#163;&#235;&#208;           > 28 69 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0EBA362C0, 16 bytes long.
 Data: < i&#163;&#235;&#208;           > 00 69 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D0EBA35690, 16 bytes long.
 Data: <&#216;h&#163;&#235;&#208;           > D8 68 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D0EBA36270, 16 bytes long.
 Data: <&#176;h&#163;&#235;&#208;           > B0 68 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0EBA34F50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D0EBA360E0, 16 bytes long.
 Data: <&#168;&#241;&#161;&#235;&#208;           > A8 F1 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0EBA2F2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D0EBA35C30, 16 bytes long.
 Data: < &#241;&#161;&#235;&#208;           > 80 F1 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D0EBA365E0, 16 bytes long.
 Data: <X&#241;&#161;&#235;&#208;           > 58 F1 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D0EBA35B90, 16 bytes long.
 Data: <0&#241;&#161;&#235;&#208;           > 30 F1 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D0EBA35AF0, 16 bytes long.
 Data: < &#241;&#161;&#235;&#208;           > 08 F1 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0EBA35780, 16 bytes long.
 Data: <&#224;&#240;&#161;&#235;&#208;           > E0 F0 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0EBA36360, 16 bytes long.
 Data: <&#184;&#240;&#161;&#235;&#208;           > B8 F0 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0EBA2F640, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D0EBA35E10, 16 bytes long.
 Data: < &#240;&#161;&#235;&#208;           > 90 F0 A1 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0EBA1F090, 320 bytes long.
 Data: < ^&#163;&#235;&#208;   @&#246;&#162;&#235;&#208;   > 10 5E A3 EB D0 01 00 00 40 F6 A2 EB D0 01 00 00 
{277} normal block at 0x000001D0EBA35FF0, 16 bytes long.
 Data: < h&#163;&#235;&#208;           > 90 68 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D0EBA36180, 16 bytes long.
 Data: <hh&#163;&#235;&#208;           > 68 68 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D0EBA2EEC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D0EBA35D70, 16 bytes long.
 Data: <@h&#163;&#235;&#208;           > 40 68 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0EBA2F4C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D0EBA364A0, 16 bytes long.
 Data: < g&#163;&#235;&#208;           > 88 67 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D0EBA35A50, 16 bytes long.
 Data: <`g&#163;&#235;&#208;           > 60 67 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D0EBA36540, 16 bytes long.
 Data: <8g&#163;&#235;&#208;           > 38 67 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D0EBA35D20, 16 bytes long.
 Data: < g&#163;&#235;&#208;           > 10 67 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0EBA36590, 16 bytes long.
 Data: <&#232;f&#163;&#235;&#208;           > E8 66 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0EBA36220, 16 bytes long.
 Data: <&#192;f&#163;&#235;&#208;           > C0 66 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0EBA35BE0, 16 bytes long.
 Data: < N&#163;&#235;&#208;           > 00 4E A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D0EBA34E00, 40 bytes long.
 Data: <&#224;[&#163;&#235;&#208;    Hk&#237;&#208;   > E0 5B A3 EB D0 01 00 00 00 48 6B ED D0 01 00 00 
{263} normal block at 0x000001D0EBA35B40, 16 bytes long.
 Data: <&#160;f&#163;&#235;&#208;           > A0 66 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0EBA363B0, 16 bytes long.
 Data: <xf&#163;&#235;&#208;           > 78 66 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D0EBA2F220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D0EBA35960, 16 bytes long.
 Data: <Pf&#163;&#235;&#208;           > 50 66 A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0EBA36650, 992 bytes long.
 Data: <`Y&#163;&#235;&#208;    &#242;&#162;&#235;&#208;   > 60 59 A3 EB D0 01 00 00 20 F2 A2 EB D0 01 00 00 
{95} normal block at 0x000001D0EBA2EFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D0EBA2D500, 16 bytes long.
 Data: <&#240;J&#163;&#235;&#208;           > F0 4A A3 EB D0 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D0EBA34AF0, 40 bytes long.
 Data: < &#213;&#162;&#235;&#208;   &#224;&#239;&#162;&#235;&#208;   > 00 D5 A2 EB D0 01 00 00 E0 EF A2 EB D0 01 00 00 
{72} normal block at 0x000001D0EBA2E040, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D0EBA2D730, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D0EBA2D690, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D0EBA2D910, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0EBA2D370, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0EBA2DCD0, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0EBA2E130, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0EBA2DB40, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0EBA2DD20, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0EBA2D640, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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