Task 38669611

Name test_517-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND6426_0
Workunit 31611935
Created 25 Oct 2026, 15:04:50 UTC
Sent 25 Oct 2026, 15:04:59 UTC
Report deadline 30 Oct 2026, 15:04:59 UTC
Received 25 Oct 2026, 15:42:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 34 min 47 sec
CPU time 33 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.68 GB
Peak swap size 6.87 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:07:49 (22300): wrapper (7.9.26016): starting
10:07:49 (22300): 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
10:07:50 (22300): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:07:50 (22300): 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\2\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\2\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
10:41:05 (22300): C:/Windows/system32/cmd.exe exited; CPU time 1981.000000
10:41:05 (22300): 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: 26716039 bytes.
Dumping objects ->
{3835250} normal block at 0x000001E76E9FD780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001E76E9FD400, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001E76E9FD390, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001E76E9FCEC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001E76E9FD630, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001E7706879B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001E7706A2C10, 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) : {3835161} normal block at 0x000001E76E9D1510, 8 bytes long.
 Data: <  &#221;n&#231;   > 00 00 DD 6E E7 01 00 00 
{3834554} normal block at 0x000001E7706A25E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001E76E9D1830, 8 bytes long.
 Data: <&#160; np&#231;   > A0 80 6E 70 E7 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E76E9CCB00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E76E9C5E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001E76E9DA3A0, 16 bytes long.
 Data: <(&#168; n&#231;           > 28 A8 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E76E9DA300, 16 bytes long.
 Data: < &#168; n&#231;           > 00 A8 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E76E9D3B60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001E76E9D9A40, 16 bytes long.
 Data: <&#216;&#167; n&#231;           > D8 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E76E9D9F90, 16 bytes long.
 Data: <&#176;&#167; n&#231;           > B0 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E76E9D9680, 16 bytes long.
 Data: < &#167; n&#231;           > 88 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E76E9D9EF0, 16 bytes long.
 Data: <`&#167; n&#231;           > 60 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E76E9D5080, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001E76E9D99F0, 16 bytes long.
 Data: <8&#235;&#155;n&#231;           > 38 EB 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E76E9D3740, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001E76E9D9EA0, 16 bytes long.
 Data: < &#235;&#155;n&#231;           > 10 EB 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E76E9D9D10, 16 bytes long.
 Data: <&#232;&#234;&#155;n&#231;           > E8 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E76E9DA3F0, 16 bytes long.
 Data: <&#192;&#234;&#155;n&#231;           > C0 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E76E9D9B30, 16 bytes long.
 Data: < &#234;&#155;n&#231;           > 98 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E76E9DA170, 16 bytes long.
 Data: <p&#234;&#155;n&#231;           > 70 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E76E9D9860, 16 bytes long.
 Data: <H&#234;&#155;n&#231;           > 48 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E76E9D3320, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001E76E9D98B0, 16 bytes long.
 Data: < &#234;&#155;n&#231;           > 20 EA 9B 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E76E9BEA20, 320 bytes long.
 Data: <&#176;  n&#231;    3 n&#231;   > B0 98 9D 6E E7 01 00 00 20 33 9D 6E E7 01 00 00 
{276} normal block at 0x000001E76E9D9E50, 16 bytes long.
 Data: <@&#167; n&#231;           > 40 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E76E9D9540, 16 bytes long.
 Data: < &#167; n&#231;           > 18 A7 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E76E9D3200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001E76E9DA0D0, 16 bytes long.
 Data: <&#240;&#166; n&#231;           > F0 A6 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E76E9D3B00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001E76E9DA080, 16 bytes long.
 Data: <8&#166; n&#231;           > 38 A6 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E76E9D95E0, 16 bytes long.
 Data: < &#166; n&#231;           > 10 A6 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E76E9DA490, 16 bytes long.
 Data: <&#232;&#165; n&#231;           > E8 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E76E9DA210, 16 bytes long.
 Data: <&#192;&#165; n&#231;           > C0 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E76E9D9FE0, 16 bytes long.
 Data: < &#165; n&#231;           > 98 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E76E9D9810, 16 bytes long.
 Data: <p&#165; n&#231;           > 70 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E76E9DA030, 16 bytes long.
 Data: <&#192;N n&#231;           > C0 4E 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E76E9D4EC0, 40 bytes long.
 Data: <0&#160; n&#231;   &#176;yhp&#231;   > 30 A0 9D 6E E7 01 00 00 B0 79 68 70 E7 01 00 00 
{262} normal block at 0x000001E76E9DA120, 16 bytes long.
 Data: <P&#165; n&#231;           > 50 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E76E9D9C20, 16 bytes long.
 Data: <(&#165; n&#231;           > 28 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E76E9D3D40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001E76E9DA260, 16 bytes long.
 Data: < &#165; n&#231;           > 00 A5 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E76E9DA500, 992 bytes long.
 Data: <`&#162; n&#231;   @= n&#231;   > 60 A2 9D 6E E7 01 00 00 40 3D 9D 6E E7 01 00 00 
{94} normal block at 0x000001E76E9D34A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001E76E9D1EC0, 16 bytes long.
 Data: <PN n&#231;           > 50 4E 9D 6E E7 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E76E9D4E50, 40 bytes long.
 Data: <&#192;  n&#231;   &#160;4 n&#231;   > C0 1E 9D 6E E7 01 00 00 A0 34 9D 6E E7 01 00 00 
{71} normal block at 0x000001E76E9D1330, 16 bytes long.
 Data: < &#234;&#240;&#228;&#247;           > 80 EA F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E76E9D1790, 16 bytes long.
 Data: <@&#233;&#240;&#228;&#247;           > 40 E9 F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E76E9D2140, 16 bytes long.
 Data: <&#248;W&#237;&#228;&#247;           > F8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E76E9D16F0, 16 bytes long.
 Data: <&#216;W&#237;&#228;&#247;           > D8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E76E9D1600, 16 bytes long.
 Data: <P &#237;&#228;&#247;           > 50 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E76E9D1740, 16 bytes long.
 Data: <0 &#237;&#228;&#247;           > 30 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E76E9D19C0, 16 bytes long.
 Data: <&#224; &#237;&#228;&#247;           > E0 02 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E76E9D1380, 16 bytes long.
 Data: <  &#237;&#228;&#247;           > 10 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E76E9D11F0, 16 bytes long.
 Data: <p &#237;&#228;&#247;           > 70 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E76E9D1E20, 16 bytes long.
 Data: < &#192;&#235;&#228;&#247;           > 18 C0 EB E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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