Task 38686241

Name test_997-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND0912_0
Workunit 31627679
Created 28 Oct 2026, 1:30:38 UTC
Sent 28 Oct 2026, 1:30:40 UTC
Report deadline 2 Nov 2026, 1:30:40 UTC
Received 28 Oct 2026, 2:54:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 10 sec
CPU time 31 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.45 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:19:15 (12992): wrapper (7.9.26016): starting
04:19:15 (12992): 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
04:19:17 (12992): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:19:17 (12992): 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\24\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\24\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
04:53:42 (12992): C:/Windows/system32/cmd.exe exited; CPU time 1870.671875
04:53:43 (12992): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 39262257 bytes.
Dumping objects ->
{3835256} normal block at 0x000001FFF5423920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001FFF5423530, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001FFF5422E30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001FFF5423370, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001FFF54234C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001FFF70AEA40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x000001FFF5458710, 180 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) : {3835166} normal block at 0x000001FFF53F6570, 8 bytes long.
 Data: <  4&#245;&#255;   > 00 00 34 F5 FF 01 00 00 
{3834558} normal block at 0x000001FFF5458620, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001FFF53F5F30, 8 bytes long.
 Data: < &#227; &#247;&#255;   > 10 E3 1D F7 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001FFF53FE5E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FFF53E5870, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001FFF54005C0, 16 bytes long.
 Data: <&#248; @&#245;&#255;           > F8 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FFF53FFB20, 16 bytes long.
 Data: <&#208; @&#245;&#255;           > D0 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FFF53FA7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001FFF54004D0, 16 bytes long.
 Data: <&#168; @&#245;&#255;           > A8 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FFF5400480, 16 bytes long.
 Data: <&#128; @&#245;&#255;           > 80 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FFF54002F0, 16 bytes long.
 Data: <X @&#245;&#255;           > 58 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FFF5400430, 16 bytes long.
 Data: <0 @&#245;&#255;           > 30 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FFF53F8810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001FFF53FFF80, 16 bytes long.
 Data: <&#200;&#151;?&#245;&#255;           > C8 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FFF53FAAA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001FFF53FFF30, 16 bytes long.
 Data: <&#160;&#151;?&#245;&#255;           > A0 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FFF54002A0, 16 bytes long.
 Data: <x&#151;?&#245;&#255;           > 78 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FFF53FFE90, 16 bytes long.
 Data: <P&#151;?&#245;&#255;           > 50 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FFF5400250, 16 bytes long.
 Data: <(&#151;?&#245;&#255;           > 28 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FFF54001B0, 16 bytes long.
 Data: < &#151;?&#245;&#255;           > 00 97 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FFF53FFE40, 16 bytes long.
 Data: <&#216;&#150;?&#245;&#255;           > D8 96 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FFF53FAC80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001FFF53FFDF0, 16 bytes long.
 Data: <&#176;&#150;?&#245;&#255;           > B0 96 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FFF53F96B0, 320 bytes long.
 Data: <&#240;&#253;?&#245;&#255;   &#128;&#172;?&#245;&#255;   > F0 FD 3F F5 FF 01 00 00 80 AC 3F F5 FF 01 00 00 
{273} normal block at 0x000001FFF5400200, 16 bytes long.
 Data: <  @&#245;&#255;           > 10 0B 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FFF54003E0, 16 bytes long.
 Data: <&#232; @&#245;&#255;           > E8 0A 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FFF53FABC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001FFF53FF760, 16 bytes long.
 Data: <&#192; @&#245;&#255;           > C0 0A 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FFF53FA680, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001FFF53FFA30, 16 bytes long.
 Data: <  @&#245;&#255;           > 08 0A 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FFF5400520, 16 bytes long.
 Data: <&#224;	@&#245;&#255;           > E0 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FFF5400160, 16 bytes long.
 Data: <&#184;	@&#245;&#255;           > B8 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FFF53FFEE0, 16 bytes long.
 Data: <&#144;	@&#245;&#255;           > 90 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FFF5400390, 16 bytes long.
 Data: <h	@&#245;&#255;           > 68 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FFF5400070, 16 bytes long.
 Data: <@	@&#245;&#255;           > 40 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FFF53FF7B0, 16 bytes long.
 Data: <0&#135;?&#245;&#255;           > 30 87 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FFF53F8730, 40 bytes long.
 Data: <&#176;&#247;?&#245;&#255;   @&#234; &#247;&#255;   > B0 F7 3F F5 FF 01 00 00 40 EA 0A F7 FF 01 00 00 
{259} normal block at 0x000001FFF53FF9E0, 16 bytes long.
 Data: < 	@&#245;&#255;           > 20 09 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FFF53FF850, 16 bytes long.
 Data: <&#248; @&#245;&#255;           > F8 08 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FFF53FA2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001FFF54006B0, 16 bytes long.
 Data: <&#208; @&#245;&#255;           > D0 08 40 F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FFF54008D0, 992 bytes long.
 Data: <&#176; @&#245;&#255;   &#192;&#162;?&#245;&#255;   > B0 06 40 F5 FF 01 00 00 C0 A2 3F F5 FF 01 00 00 
{91} normal block at 0x000001FFF53FAB00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001FFF53F5D00, 16 bytes long.
 Data: <&#224;&#133;?&#245;&#255;           > E0 85 3F F5 FF 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001FFF53F85E0, 40 bytes long.
 Data: < ]?&#245;&#255;    &#171;?&#245;&#255;   > 00 5D 3F F5 FF 01 00 00 00 AB 3F F5 FF 01 00 00 
{68} normal block at 0x000001FFF53F5FD0, 16 bytes long.
 Data: <&#128;&#234; \&#247;           > 80 EA 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FFF53F58F0, 16 bytes long.
 Data: <@&#233; \&#247;           > 40 E9 11 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FFF53F66B0, 16 bytes long.
 Data: <&#248;W \&#247;           > F8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FFF53F5BC0, 16 bytes long.
 Data: <&#216;W \&#247;           > D8 57 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FFF53F6110, 16 bytes long.
 Data: <P  \&#247;           > 50 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FFF53F5B20, 16 bytes long.
 Data: <0  \&#247;           > 30 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FFF53F5EE0, 16 bytes long.
 Data: <&#224;  \&#247;           > E0 02 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FFF53F61B0, 16 bytes long.
 Data: <   \&#247;           > 10 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FFF53F6340, 16 bytes long.
 Data: <p  \&#247;           > 70 04 0E 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FFF53F6070, 16 bytes long.
 Data: < &#192; \&#247;           > 18 C0 0C 5C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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