Task 38686288

Name test_349-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8978_0
Workunit 31627724
Created 28 Oct 2026, 1:43:05 UTC
Sent 28 Oct 2026, 1:43:09 UTC
Report deadline 2 Nov 2026, 1:43:09 UTC
Received 28 Oct 2026, 2:06:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 20 min 41 sec
CPU time 18 min 39 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 727.68 MB
Peak swap size 9.99 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:45:49 (2836): wrapper (7.9.26016): starting
21:45:49 (2836): 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
21:45:50 (2836): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:45:50 (2836): 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
22:05:41 (2836): C:/Windows/system32/cmd.exe exited; CPU time 1119.843750
22:05:41 (2836): 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: 20559999 bytes.
Dumping objects ->
{3835237} normal block at 0x0000024B7EA8C5B0, 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 0x0000024B7EA8C7E0, 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 0x0000024B7EA8CF50, 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 0x0000024B7CDA48E0, 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 0x0000024B7CDA4950, 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 0x0000024B7EAD3CF0, 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 0x0000024B7EAEE7C0, 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 0x0000024B7CDA1030, 8 bytes long.
 Data: <  &#211;|K   > 00 00 D3 7C 4B 02 00 00 
{3834547} normal block at 0x0000024B7EAEEBE0, 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 0x0000024B7CDA0CC0, 8 bytes long.
 Data: <&#176;&#217;&#174;~K   > B0 D9 AE 7E 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024B7CD97070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024B7CD8F380, 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 0x0000024B7CDA56C0, 16 bytes long.
 Data: <&#248;R&#218;|K           > F8 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024B7CDA5670, 16 bytes long.
 Data: <&#208;R&#218;|K           > D0 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024B7CDA0380, 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 0x0000024B7CDA6070, 16 bytes long.
 Data: <&#168;R&#218;|K           > A8 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024B7CDA6340, 16 bytes long.
 Data: < R&#218;|K           > 80 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024B7CDA5C60, 16 bytes long.
 Data: <XR&#218;|K           > 58 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024B7CDA5C10, 16 bytes long.
 Data: <0R&#218;|K           > 30 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024B7CDA4AA0, 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 0x0000024B7CDA58A0, 16 bytes long.
 Data: <&#168;&#184;&#216;|K           > A8 B8 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024B7CD9F4E0, 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 0x0000024B7CDA5850, 16 bytes long.
 Data: < &#184;&#216;|K           > 80 B8 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024B7CDA5710, 16 bytes long.
 Data: <X&#184;&#216;|K           > 58 B8 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024B7CDA5620, 16 bytes long.
 Data: <0&#184;&#216;|K           > 30 B8 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024B7CDA5F80, 16 bytes long.
 Data: < &#184;&#216;|K           > 08 B8 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024B7CDA5BC0, 16 bytes long.
 Data: <&#224;&#183;&#216;|K           > E0 B7 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024B7CDA5760, 16 bytes long.
 Data: <&#184;&#183;&#216;|K           > B8 B7 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024B7CD9FA80, 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 0x0000024B7CDA6020, 16 bytes long.
 Data: < &#183;&#216;|K           > 90 B7 D8 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024B7CD8B790, 320 bytes long.
 Data: < `&#218;|K    &#250;&#217;|K   > 20 60 DA 7C 4B 02 00 00 80 FA D9 7C 4B 02 00 00 
{275} normal block at 0x0000024B7CDA6390, 16 bytes long.
 Data: < R&#218;|K           > 10 52 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024B7CDA5EE0, 16 bytes long.
 Data: <&#232;Q&#218;|K           > E8 51 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024B7CDA00E0, 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 0x0000024B7CDA5E40, 16 bytes long.
 Data: <&#192;Q&#218;|K           > C0 51 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024B7CD9F8A0, 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 0x0000024B7CDA62F0, 16 bytes long.
 Data: < Q&#218;|K           > 08 51 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024B7CDA6160, 16 bytes long.
 Data: <&#224;P&#218;|K           > E0 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024B7CDA5490, 16 bytes long.
 Data: <&#184;P&#218;|K           > B8 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024B7CDA5440, 16 bytes long.
 Data: < P&#218;|K           > 90 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024B7CDA09A0, 16 bytes long.
 Data: <hP&#218;|K           > 68 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024B7CDA0810, 16 bytes long.
 Data: <@P&#218;|K           > 40 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024B7CDA0E50, 16 bytes long.
 Data: < D&#218;|K           > 10 44 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024B7CDA4410, 40 bytes long.
 Data: <P &#218;|K   &#240;<&#173;~K   > 50 0E DA 7C 4B 02 00 00 F0 3C AD 7E 4B 02 00 00 
{261} normal block at 0x0000024B7CDA0C70, 16 bytes long.
 Data: < P&#218;|K           > 20 50 DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024B7CDA0680, 16 bytes long.
 Data: <&#248;O&#218;|K           > F8 4F DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024B7CDA03E0, 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 0x0000024B7CDA0C20, 16 bytes long.
 Data: <&#208;O&#218;|K           > D0 4F DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024B7CDA4FD0, 992 bytes long.
 Data: <  &#218;|K   &#224; &#218;|K   > 20 0C DA 7C 4B 02 00 00 E0 03 DA 7C 4B 02 00 00 
{93} normal block at 0x0000024B7CD9FB40, 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 0x0000024B7CDA0BD0, 16 bytes long.
 Data: <0J&#218;|K           > 30 4A DA 7C 4B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024B7CDA4A30, 40 bytes long.
 Data: <&#208; &#218;|K   @&#251;&#217;|K   > D0 0B DA 7C 4B 02 00 00 40 FB D9 7C 4B 02 00 00 
{70} normal block at 0x0000024B7CDA05E0, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024B7CDA0720, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024B7CDA0590, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024B7CDA1170, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024B7CDA0EF0, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024B7CDA0FE0, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024B7CDA12B0, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024B7CDA06D0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024B7CDA0D60, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024B7CDA0EA0, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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