Task 38686441

Name test_890-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1008_0
Workunit 31627873
Created 28 Oct 2026, 2:31:45 UTC
Sent 28 Oct 2026, 2:31:49 UTC
Report deadline 2 Nov 2026, 2:31:49 UTC
Received 28 Oct 2026, 3:29:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583368
Run time 40 min 54 sec
CPU time 40 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.94 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:47:22 (12232): wrapper (7.9.26016): starting
03:47:22 (12232): 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
03:47:23 (12232): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:47:23 (12232): 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 'D:\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 'D:\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
04:28:52 (12232): C:/Windows/system32/cmd.exe exited; CPU time 2454.125000
04:28:52 (12232): 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: 42819475 bytes.
Dumping objects ->
{3835207} normal block at 0x0000015C7D964A80, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000015C7D9649A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000015C7D964620, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000015C7D964D20, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000015C7D964BD0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x0000015C7F834DA0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x0000015C7F84DC60, 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) : {3835118} normal block at 0x0000015C7D95EA80, 8 bytes long.
 Data: <  &#233;}\   > 00 00 E9 7D 5C 01 00 00 
{3834522} normal block at 0x0000015C7F84DDC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000015C7D95E9E0, 8 bytes long.
 Data: <&#176;&#214;&#148;}\   > B0 D6 94 7D 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000015C7D960050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C7D955950, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000015C7D965790, 16 bytes long.
 Data: < a&#150;}\           > 18 61 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C7D965650, 16 bytes long.
 Data: <&#240;`&#150;}\           > F0 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015C7D95F880, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000015C7D965B00, 16 bytes long.
 Data: <&#200;`&#150;}\           > C8 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015C7D965920, 16 bytes long.
 Data: <&#160;`&#150;}\           > A0 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015C7D964ED0, 16 bytes long.
 Data: <x`&#150;}\           > 78 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015C7D965600, 16 bytes long.
 Data: <P`&#150;}\           > 50 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C7D964A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000015C7D9659C0, 16 bytes long.
 Data: <&#200;&#253;&#148;}\           > C8 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C7D95FA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000015C7D965AB0, 16 bytes long.
 Data: <&#160;&#253;&#148;}\           > A0 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015C7D965560, 16 bytes long.
 Data: <x&#253;&#148;}\           > 78 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015C7D964E80, 16 bytes long.
 Data: <P&#253;&#148;}\           > 50 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015C7D965D30, 16 bytes long.
 Data: <(&#253;&#148;}\           > 28 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015C7D965C40, 16 bytes long.
 Data: < &#253;&#148;}\           > 00 FD 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C7D965CE0, 16 bytes long.
 Data: <&#216;&#252;&#148;}\           > D8 FC 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015C7D95F2E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000015C7D9654C0, 16 bytes long.
 Data: <&#176;&#252;&#148;}\           > B0 FC 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015C7D94FCB0, 320 bytes long.
 Data: <&#192;T&#150;}\   &#224;&#242;&#149;}\   > C0 54 96 7D 5C 01 00 00 E0 F2 95 7D 5C 01 00 00 
{269} normal block at 0x0000015C7D965470, 16 bytes long.
 Data: <0`&#150;}\           > 30 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C7D9655B0, 16 bytes long.
 Data: < `&#150;}\           > 08 60 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C7D95F9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000015C7D965510, 16 bytes long.
 Data: <&#224;_&#150;}\           > E0 5F 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C7D95F280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000015C7D9651A0, 16 bytes long.
 Data: <(_&#150;}\           > 28 5F 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015C7D965740, 16 bytes long.
 Data: < _&#150;}\           > 00 5F 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C7D964E30, 16 bytes long.
 Data: <&#216;^&#150;}\           > D8 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C7D965150, 16 bytes long.
 Data: <&#176;^&#150;}\           > B0 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015C7D9653D0, 16 bytes long.
 Data: < ^&#150;}\           > 88 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C7D964F20, 16 bytes long.
 Data: <`^&#150;}\           > 60 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015C7D965A60, 16 bytes long.
 Data: <`K&#150;}\           > 60 4B 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015C7D964B60, 40 bytes long.
 Data: <`Z&#150;}\   &#160;M&#131; \   > 60 5A 96 7D 5C 01 00 00 A0 4D 83 7F 5C 01 00 00 
{255} normal block at 0x0000015C7D965C90, 16 bytes long.
 Data: <@^&#150;}\           > 40 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000015C7D965A10, 16 bytes long.
 Data: < ^&#150;}\           > 18 5E 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015C7D95F6A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000015C7D965100, 16 bytes long.
 Data: <&#240;]&#150;}\           > F0 5D 96 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000015C7D965DF0, 992 bytes long.
 Data: < Q&#150;}\   &#160;&#246;&#149;}\   > 00 51 96 7D 5C 01 00 00 A0 F6 95 7D 5C 01 00 00 
{87} normal block at 0x0000015C7D95F0A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000015C7D95E8F0, 16 bytes long.
 Data: < &#198;&#148;}\           > 20 C6 94 7D 5C 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000015C7D94C620, 40 bytes long.
 Data: <&#240;&#232;&#149;}\   &#160;&#240;&#149;}\   > F0 E8 95 7D 5C 01 00 00 A0 F0 95 7D 5C 01 00 00 
{64} normal block at 0x0000015C7D95E260, 16 bytes long.
 Data: < &#234;n9&#247;           > 80 EA 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C7D95E5D0, 16 bytes long.
 Data: <@&#233;n9&#247;           > 40 E9 6E 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C7D95EC10, 16 bytes long.
 Data: <&#248;Wk9&#247;           > F8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C7D95E940, 16 bytes long.
 Data: <&#216;Wk9&#247;           > D8 57 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015C7D95E990, 16 bytes long.
 Data: <P k9&#247;           > 50 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015C7D95E710, 16 bytes long.
 Data: <0 k9&#247;           > 30 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015C7D95ED50, 16 bytes long.
 Data: <&#224; k9&#247;           > E0 02 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015C7D95E8A0, 16 bytes long.
 Data: <  k9&#247;           > 10 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015C7D95EA30, 16 bytes long.
 Data: <p k9&#247;           > 70 04 6B 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015C7D95E0D0, 16 bytes long.
 Data: < &#192;i9&#247;           > 18 C0 69 39 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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