Task 38688265

Name test_552-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0621_0
Workunit 31629624
Created 28 Oct 2026, 12:45:34 UTC
Sent 28 Oct 2026, 12:45:37 UTC
Report deadline 2 Nov 2026, 12:45:37 UTC
Received 28 Oct 2026, 14:09:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606123
Run time 31 min 19 sec
CPU time 31 min 19 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 690.18 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>
15:34:31 (21284): wrapper (7.9.26016): starting
15:34:31 (21284): 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
15:34:32 (21284): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:34:32 (21284): 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: Exiting with failure status due to previous errors
16:08:54 (21284): C:/Windows/system32/cmd.exe exited; CPU time 1879.781250
16:08:54 (21284): 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: 24891697 bytes.
Dumping objects ->
{3835256} normal block at 0x000001A5D2F34B60, 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 0x000001A5D2F34AF0, 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 0x000001A5D2F355E0, 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 0x000001A5D2F35500, 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 0x000001A5D2F35490, 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 0x000001A5D4C1EC60, 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 0x000001A5D4AEDDE0, 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 0x000001A5D2F05D40, 8 bytes long.
 Data: <  &#237;&#210;&#165;   > 00 00 ED D2 A5 01 00 00 
{3834558} normal block at 0x000001A5D4AEDED0, 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 0x000001A5D2F05AC0, 8 bytes long.
 Data: <&#208; &#177;&#212;&#165;   > D0 10 B1 D4 A5 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A5D2F100E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A5D2F11160, 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 0x000001A5D2F11FD0, 16 bytes long.
 Data: <&#248;&&#241;&#210;&#165;           > F8 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A5D2F11F30, 16 bytes long.
 Data: <&#208;&&#241;&#210;&#165;           > D0 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A5D2F0C370, 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 0x000001A5D2F11E40, 16 bytes long.
 Data: <&#168;&&#241;&#210;&#165;           > A8 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A5D2F11D00, 16 bytes long.
 Data: <&#128;&&#241;&#210;&#165;           > 80 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A5D2F11C60, 16 bytes long.
 Data: <X&&#241;&#210;&#165;           > 58 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A5D2F11D50, 16 bytes long.
 Data: <0&&#241;&#210;&#165;           > 30 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A5D2F0A7F0, 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 0x000001A5D2F11C10, 16 bytes long.
 Data: <&#248; &#241;&#210;&#165;           > F8 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A5D2F0C1F0, 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 0x000001A5D2F11BC0, 16 bytes long.
 Data: <&#208; &#241;&#210;&#165;           > D0 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A5D2F11530, 16 bytes long.
 Data: <&#168; &#241;&#210;&#165;           > A8 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A5D2F11AD0, 16 bytes long.
 Data: <&#128; &#241;&#210;&#165;           > 80 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A5D2F112B0, 16 bytes long.
 Data: <X &#241;&#210;&#165;           > 58 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A5D2F11A80, 16 bytes long.
 Data: <0 &#241;&#210;&#165;           > 30 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A5D2F11A30, 16 bytes long.
 Data: <  &#241;&#210;&#165;           > 08 10 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A5D2F0C190, 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 0x000001A5D2F114E0, 16 bytes long.
 Data: <&#224; &#241;&#210;&#165;           > E0 0F F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A5D2F10FE0, 320 bytes long.
 Data: <&#224; &#241;&#210;&#165;   &#144;&#193;&#240;&#210;&#165;   > E0 14 F1 D2 A5 01 00 00 90 C1 F0 D2 A5 01 00 00 
{273} normal block at 0x000001A5D2F115D0, 16 bytes long.
 Data: < &&#241;&#210;&#165;           > 10 26 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A5D2F119E0, 16 bytes long.
 Data: <&#232;%&#241;&#210;&#165;           > E8 25 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A5D2F0C610, 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 0x000001A5D2F11F80, 16 bytes long.
 Data: <&#192;%&#241;&#210;&#165;           > C0 25 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A5D2F0C5B0, 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 0x000001A5D2F12110, 16 bytes long.
 Data: < %&#241;&#210;&#165;           > 08 25 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A5D2F11850, 16 bytes long.
 Data: <&#224;$&#241;&#210;&#165;           > E0 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A5D2F11800, 16 bytes long.
 Data: <&#184;$&#241;&#210;&#165;           > B8 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A5D2F11EE0, 16 bytes long.
 Data: <&#144;$&#241;&#210;&#165;           > 90 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A5D2F11B70, 16 bytes long.
 Data: <h$&#241;&#210;&#165;           > 68 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A5D2F11990, 16 bytes long.
 Data: <@$&#241;&#210;&#165;           > 40 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A5D2F117B0, 16 bytes long.
 Data: <p&#164;&#240;&#210;&#165;           > 70 A4 F0 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A5D2F0A470, 40 bytes long.
 Data: <&#176; &#241;&#210;&#165;   `&#236;&#193;&#212;&#165;   > B0 17 F1 D2 A5 01 00 00 60 EC C1 D4 A5 01 00 00 
{259} normal block at 0x000001A5D2F11710, 16 bytes long.
 Data: < $&#241;&#210;&#165;           > 20 24 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A5D2F11490, 16 bytes long.
 Data: <&#248;#&#241;&#210;&#165;           > F8 23 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A5D2F0C790, 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 0x000001A5D2F118F0, 16 bytes long.
 Data: <&#208;#&#241;&#210;&#165;           > D0 23 F1 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A5D2F123D0, 992 bytes long.
 Data: <&#240; &#241;&#210;&#165;   &#144;&#199;&#240;&#210;&#165;   > F0 18 F1 D2 A5 01 00 00 90 C7 F0 D2 A5 01 00 00 
{91} normal block at 0x000001A5D2F0C070, 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 0x000001A5D2F06240, 16 bytes long.
 Data: < &#163;&#240;&#210;&#165;           > 20 A3 F0 D2 A5 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001A5D2F0A320, 40 bytes long.
 Data: <@b&#240;&#210;&#165;   p&#192;&#240;&#210;&#165;   > 40 62 F0 D2 A5 01 00 00 70 C0 F0 D2 A5 01 00 00 
{68} normal block at 0x000001A5D2F05F70, 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 0x000001A5D2F05890, 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 0x000001A5D2F05ED0, 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 0x000001A5D2F06560, 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 0x000001A5D2F060B0, 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 0x000001A5D2F06380, 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 0x000001A5D2F05E30, 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 0x000001A5D2F066A0, 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 0x000001A5D2F06060, 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 0x000001A5D2F05C00, 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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