Task 38696895

Name test_611-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8691_0
Workunit 31637509
Created 1 Nov 2026, 6:06:10 UTC
Sent 1 Nov 2026, 6:06:15 UTC
Report deadline 6 Nov 2026, 6:06:15 UTC
Received 1 Nov 2026, 7:17:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 40 min 19 sec
CPU time 38 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.30 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
07:22:22 (20100): wrapper (7.9.26016): starting
07:22:22 (20100): 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
07:22:24 (20100): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:22:24 (20100): 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:\boinc\slots\13\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:\boinc\slots\13\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
08:01:18 (20100): C:/Windows/system32/cmd.exe exited; CPU time 2290.218750
08:01:18 (20100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 37039645 bytes.
Dumping objects ->
{3835315} normal block at 0x00000164EB104A30, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x00000164ECF06990, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x00000164ECF069F0, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x00000164ECF06E10, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x00000164ECF06B10, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x00000164EB104800, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x00000164ECECE590, 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) : {3835226} normal block at 0x00000164EB0FEF30, 8 bytes long.
 Data: <  &#210;&#236;d   > 00 00 D2 EC 64 01 00 00 
{3834587} normal block at 0x00000164ECECEC70, 102 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 0x00000164EB0FF070, 8 bytes long.
 Data: < 6&#241;&#236;d   > 80 36 F1 EC 64 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000164EB100550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000164EB0F6740, 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 0x00000164EB106400, 16 bytes long.
 Data: <&#168;T &#235;d           > A8 54 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000164EB105D70, 16 bytes long.
 Data: < T &#235;d           > 80 54 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000164EB0FF6A0, 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 0x00000164EB1064A0, 16 bytes long.
 Data: <XT &#235;d           > 58 54 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000164EB105FA0, 16 bytes long.
 Data: <0T &#235;d           > 30 54 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000164EB106450, 16 bytes long.
 Data: < T &#235;d           > 08 54 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000164EB105F00, 16 bytes long.
 Data: <&#224;S &#235;d           > E0 53 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000164EB1044F0, 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 0x00000164EB105960, 16 bytes long.
 Data: <x&#142; &#235;d           > 78 8E 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000164EB1002A0, 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 0x00000164EB106040, 16 bytes long.
 Data: <P&#142; &#235;d           > 50 8E 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000164EB1064F0, 16 bytes long.
 Data: <(&#142; &#235;d           > 28 8E 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000164EB105CD0, 16 bytes long.
 Data: < &#142; &#235;d           > 00 8E 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000164EB105820, 16 bytes long.
 Data: <&#216;  &#235;d           > D8 8D 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000164EB105C80, 16 bytes long.
 Data: <&#176;  &#235;d           > B0 8D 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000164EB105AA0, 16 bytes long.
 Data: <   &#235;d           > 88 8D 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000164EB100000, 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 0x00000164EB105DC0, 16 bytes long.
 Data: <`  &#235;d           > 60 8D 0F EB 64 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000164EB0F8D60, 320 bytes long.
 Data: <&#192;] &#235;d      &#235;d   > C0 5D 10 EB 64 01 00 00 00 00 10 EB 64 01 00 00 
{273} normal block at 0x00000164EB1060E0, 16 bytes long.
 Data: <&#192;S &#235;d           > C0 53 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000164EB105AF0, 16 bytes long.
 Data: < S &#235;d           > 98 53 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000164EB0FFDC0, 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 0x00000164EB105FF0, 16 bytes long.
 Data: <pS &#235;d           > 70 53 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000164EB0FF940, 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 0x00000164EB105A00, 16 bytes long.
 Data: <&#184;R &#235;d           > B8 52 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000164EB105A50, 16 bytes long.
 Data: < R &#235;d           > 90 52 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000164EB106360, 16 bytes long.
 Data: <hR &#235;d           > 68 52 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000164EB105D20, 16 bytes long.
 Data: <@R &#235;d           > 40 52 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000164EB105640, 16 bytes long.
 Data: < R &#235;d           > 18 52 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000164EB0FE490, 16 bytes long.
 Data: <&#240;Q &#235;d           > F0 51 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000164EB0FEDF0, 16 bytes long.
 Data: <&#192;I &#235;d           > C0 49 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000164EB1049C0, 40 bytes long.
 Data: <&#240;&#237; &#235;d    H &#235;d   > F0 ED 0F EB 64 01 00 00 00 48 10 EB 64 01 00 00 
{259} normal block at 0x00000164EB0FED00, 16 bytes long.
 Data: <&#208;Q &#235;d           > D0 51 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000164EB0FEFD0, 16 bytes long.
 Data: <&#168;Q &#235;d           > A8 51 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000164EB0FFD60, 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 0x00000164EB0FEA80, 16 bytes long.
 Data: < Q &#235;d           > 80 51 10 EB 64 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000164EB105180, 992 bytes long.
 Data: < &#234; &#235;d   `&#253; &#235;d   > 80 EA 0F EB 64 01 00 00 60 FD 0F EB 64 01 00 00 
{91} normal block at 0x00000164EB0FF760, 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 0x00000164EB0FF020, 16 bytes long.
 Data: <&#176;&#237; &#235;d           > B0 ED 0E EB 64 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000164EB0EEDB0, 40 bytes long.
 Data: < &#240; &#235;d   `&#247; &#235;d   > 20 F0 0F EB 64 01 00 00 60 F7 0F EB 64 01 00 00 
{68} normal block at 0x00000164EB0FED50, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000164EB0FE5D0, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000164EB0FE6C0, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000164EB0FF200, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000164EB0FE8F0, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000164EB0FEB70, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000164EB0FECB0, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000164EB0FEE90, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000164EB0FEE40, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000164EB0FF250, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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