Task 38688179

Name test_468-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND0109_0
Workunit 31629543
Created 28 Oct 2026, 12:10:16 UTC
Sent 28 Oct 2026, 12:10:19 UTC
Report deadline 2 Nov 2026, 12:10:19 UTC
Received 28 Oct 2026, 12:24:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 20 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 742.08 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:11:05 (3124): wrapper (7.9.26016): starting
13:11:05 (3124): 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
13:11:06 (3124): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:11:06 (3124): 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
13:23:51 (3124): C:/Windows/system32/cmd.exe exited; CPU time 699.796875
13:23:51 (3124): 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: 10580757 bytes.
Dumping objects ->
{3835237} normal block at 0x00000243EA53CED0, 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 0x00000243EA53C5A0, 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 0x00000243EA53CD80, 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 0x00000243EA53D2C0, 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 0x00000243EA5169B0, 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 0x00000243EC335C50, 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 0x00000243EC350110, 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 0x00000243EA50D4F0, 8 bytes long.
 Data: <  &#184;&#234;C   > 00 00 B8 EA 43 02 00 00 
{3834544} normal block at 0x00000243EC350740, 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 0x00000243EA50DD10, 8 bytes long.
 Data: < _Q&#234;C   > 00 5F 51 EA 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000243EA511710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000243EA4FF260, 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 0x00000243EA517A60, 16 bytes long.
 Data: < &#130;Q&#234;C           > 08 82 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000243EA517290, 16 bytes long.
 Data: <&#224; Q&#234;C           > E0 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000243EA50F7A0, 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 0x00000243EA516FC0, 16 bytes long.
 Data: <&#184; Q&#234;C           > B8 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000243EA517420, 16 bytes long.
 Data: <  Q&#234;C           > 90 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000243EA517B00, 16 bytes long.
 Data: <h Q&#234;C           > 68 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000243EA517DD0, 16 bytes long.
 Data: <@ Q&#234;C           > 40 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000243EA516BE0, 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 0x00000243EA517E20, 16 bytes long.
 Data: <8 P&#234;C           > 38 08 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000243EA50F6E0, 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 0x00000243EA517560, 16 bytes long.
 Data: <  P&#234;C           > 10 08 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000243EA517AB0, 16 bytes long.
 Data: <&#232; P&#234;C           > E8 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000243EA517C90, 16 bytes long.
 Data: <&#192; P&#234;C           > C0 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000243EA517830, 16 bytes long.
 Data: <  P&#234;C           > 98 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000243EA5171F0, 16 bytes long.
 Data: <p P&#234;C           > 70 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000243EA517A10, 16 bytes long.
 Data: <H P&#234;C           > 48 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000243EA50EC60, 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 0x00000243EA517790, 16 bytes long.
 Data: <  P&#234;C           > 20 07 50 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000243EA500720, 320 bytes long.
 Data: < wQ&#234;C   `&#236;P&#234;C   > 90 77 51 EA 43 02 00 00 60 EC 50 EA 43 02 00 00 
{277} normal block at 0x00000243EA517600, 16 bytes long.
 Data: <  Q&#234;C           > 20 81 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000243EA5174C0, 16 bytes long.
 Data: <&#248; Q&#234;C           > F8 80 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000243EA50F5C0, 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 0x00000243EA516F20, 16 bytes long.
 Data: <&#208; Q&#234;C           > D0 80 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000243EA50ED80, 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 0x00000243EA517920, 16 bytes long.
 Data: <  Q&#234;C           > 18 80 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000243EA5177E0, 16 bytes long.
 Data: <&#240; Q&#234;C           > F0 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000243EA5178D0, 16 bytes long.
 Data: <&#200; Q&#234;C           > C8 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000243EA5173D0, 16 bytes long.
 Data: <&#160; Q&#234;C           > A0 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000243EA5179C0, 16 bytes long.
 Data: <x Q&#234;C           > 78 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000243EA517100, 16 bytes long.
 Data: <P Q&#234;C           > 50 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000243EA5175B0, 16 bytes long.
 Data: <0fQ&#234;C           > 30 66 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000243EA516630, 40 bytes long.
 Data: <&#176;uQ&#234;C   P\3&#236;C   > B0 75 51 EA 43 02 00 00 50 5C 33 EC 43 02 00 00 
{263} normal block at 0x00000243EA517D80, 16 bytes long.
 Data: <0 Q&#234;C           > 30 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000243EA517D30, 16 bytes long.
 Data: <  Q&#234;C           > 08 7F 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000243EA50F200, 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 0x00000243EA5176F0, 16 bytes long.
 Data: <&#224;~Q&#234;C           > E0 7E 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000243EA517EE0, 992 bytes long.
 Data: <&#240;vQ&#234;C    &#242;P&#234;C   > F0 76 51 EA 43 02 00 00 00 F2 50 EA 43 02 00 00 
{95} normal block at 0x00000243EA50F0E0, 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 0x00000243EA50D6D0, 16 bytes long.
 Data: <&#192;eQ&#234;C           > C0 65 51 EA 43 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000243EA5165C0, 40 bytes long.
 Data: <&#208;&#214;P&#234;C   &#224;&#240;P&#234;C   > D0 D6 50 EA 43 02 00 00 E0 F0 50 EA 43 02 00 00 
{72} normal block at 0x00000243EA50DB80, 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 0x00000243EA50DE50, 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 0x00000243EA50D310, 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 0x00000243EA50D4A0, 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 0x00000243EA50D270, 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 0x00000243EA50D770, 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 0x00000243EA50D900, 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 0x00000243EA50D9A0, 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 0x00000243EA50DA40, 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 0x00000243EA50D360, 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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