Task 38687308

Name test_664-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND4414_0
Workunit 31628701
Created 28 Oct 2026, 7:04:14 UTC
Sent 28 Oct 2026, 7:04:21 UTC
Report deadline 2 Nov 2026, 7:04:21 UTC
Received 28 Oct 2026, 7:41:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607579
Run time 29 min 55 sec
CPU time 27 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.03 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:11:45 (8508): wrapper (7.9.26016): starting
08:11:45 (8508): 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
08:11:46 (8508): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:11:46 (8508): 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
08:40:51 (8508): C:/Windows/system32/cmd.exe exited; CPU time 1679.937500
08:40:51 (8508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 40537883 bytes.
Dumping objects ->
{3835569} normal block at 0x000002D6EA6B9400, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000002D6EA6B9390, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002D6EA694DE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000002D6EA694D70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000002D6EA694AD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000002D6EC448140, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835481} normal block at 0x000002D6EA68DAA0, 8 bytes long.
 Data: <  &#182;&#234;&#214;   > 00 00 B6 EA D6 02 00 00 
{3833967} normal block at 0x000002D6EA68DF50, 8 bytes long.
 Data: < BM&#236;&#214;   > 10 42 4D EC D6 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002D6EA690CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002D6EA67EEC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002D6EA6961A0, 16 bytes long.
 Data: < hi&#234;&#214;           > 08 68 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002D6EA696010, 16 bytes long.
 Data: <&#224;gi&#234;&#214;           > E0 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002D6EA68F280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002D6EA696330, 16 bytes long.
 Data: <&#184;gi&#234;&#214;           > B8 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002D6EA695FC0, 16 bytes long.
 Data: < gi&#234;&#214;           > 90 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002D6EA695E30, 16 bytes long.
 Data: <hgi&#234;&#214;           > 68 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D6EA696290, 16 bytes long.
 Data: <@gi&#234;&#214;           > 40 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002D6EA694980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002D6EA695570, 16 bytes long.
 Data: < &#234;h&#234;&#214;           > 98 EA 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D6EA68ECE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002D6EA695A20, 16 bytes long.
 Data: <p&#234;h&#234;&#214;           > 70 EA 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D6EA695930, 16 bytes long.
 Data: <H&#234;h&#234;&#214;           > 48 EA 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D6EA696420, 16 bytes long.
 Data: < &#234;h&#234;&#214;           > 20 EA 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D6EA695AC0, 16 bytes long.
 Data: <&#248;&#233;h&#234;&#214;           > F8 E9 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002D6EA696060, 16 bytes long.
 Data: <&#208;&#233;h&#234;&#214;           > D0 E9 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D6EA6959D0, 16 bytes long.
 Data: <&#168;&#233;h&#234;&#214;           > A8 E9 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002D6EA68EB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002D6EA695DE0, 16 bytes long.
 Data: < &#233;h&#234;&#214;           > 80 E9 68 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D6EA68E980, 320 bytes long.
 Data: <&#224;]i&#234;&#214;   `&#235;h&#234;&#214;   > E0 5D 69 EA D6 02 00 00 60 EB 68 EA D6 02 00 00 
{279} normal block at 0x000002D6EA6956B0, 16 bytes long.
 Data: < gi&#234;&#214;           > 20 67 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D6EA695980, 16 bytes long.
 Data: <&#248;fi&#234;&#214;           > F8 66 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D6EA68F8E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002D6EA696150, 16 bytes long.
 Data: <&#208;fi&#234;&#214;           > D0 66 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D6EA68F460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002D6EA6958E0, 16 bytes long.
 Data: < fi&#234;&#214;           > 18 66 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D6EA696240, 16 bytes long.
 Data: <&#240;ei&#234;&#214;           > F0 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002D6EA695D90, 16 bytes long.
 Data: <&#200;ei&#234;&#214;           > C8 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D6EA6960B0, 16 bytes long.
 Data: <&#160;ei&#234;&#214;           > A0 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D6EA695C50, 16 bytes long.
 Data: <xei&#234;&#214;           > 78 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002D6EA695CA0, 16 bytes long.
 Data: <Pei&#234;&#214;           > 50 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002D6EA695B10, 16 bytes long.
 Data: <@Ki&#234;&#214;           > 40 4B 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D6EA694B40, 40 bytes long.
 Data: < [i&#234;&#214;   @ D&#236;&#214;   > 10 5B 69 EA D6 02 00 00 40 81 44 EC D6 02 00 00 
{265} normal block at 0x000002D6EA695D40, 16 bytes long.
 Data: <0ei&#234;&#214;           > 30 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D6EA695BB0, 16 bytes long.
 Data: < ei&#234;&#214;           > 08 65 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D6EA68EC20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002D6EA695F70, 16 bytes long.
 Data: <&#224;di&#234;&#214;           > E0 64 69 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002D6EA6964E0, 992 bytes long.
 Data: <p_i&#234;&#214;    &#236;h&#234;&#214;   > 70 5F 69 EA D6 02 00 00 20 EC 68 EA D6 02 00 00 
{97} normal block at 0x000002D6EA68EBC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002D6EA68D910, 16 bytes long.
 Data: <&#208;&#214;g&#234;&#214;           > D0 D6 67 EA D6 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002D6EA67D6D0, 40 bytes long.
 Data: < &#217;h&#234;&#214;   &#192;&#235;h&#234;&#214;   > 10 D9 68 EA D6 02 00 00 C0 EB 68 EA D6 02 00 00 
{74} normal block at 0x000002D6EA68D690, 16 bytes long.
 Data: < &#234; F&#247;           > 80 EA 10 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002D6EA68D190, 16 bytes long.
 Data: <@&#233; F&#247;           > 40 E9 10 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002D6EA68DFA0, 16 bytes long.
 Data: <&#248;W F&#247;           > F8 57 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002D6EA68D5A0, 16 bytes long.
 Data: <&#216;W F&#247;           > D8 57 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002D6EA68E090, 16 bytes long.
 Data: <P  F&#247;           > 50 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002D6EA68D550, 16 bytes long.
 Data: <0  F&#247;           > 30 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002D6EA68E040, 16 bytes long.
 Data: <&#224;  F&#247;           > E0 02 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002D6EA68D6E0, 16 bytes long.
 Data: <   F&#247;           > 10 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D6EA68DC80, 16 bytes long.
 Data: <p  F&#247;           > 70 04 0D 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D6EA68D640, 16 bytes long.
 Data: < &#192; F&#247;           > 18 C0 0B 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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