Task 38682194

Name test_907-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1048_0
Workunit 31623824
Created 27 Oct 2026, 6:56:12 UTC
Sent 27 Oct 2026, 6:56:14 UTC
Report deadline 1 Nov 2026, 6:56:14 UTC
Received 27 Oct 2026, 8:30:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 1 hours 6 min 23 sec
CPU time 57 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.96 MB
Peak swap size 5.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:26:40 (11748): wrapper (7.9.26016): starting
00:26:40 (11748): 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
00:26:44 (11748): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:26:44 (11748): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
01:29:43 (11748): C:/Windows/system32/cmd.exe exited; CPU time 3453.296875
01:29:43 (11748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 42527083 bytes.
Dumping objects ->
{3835225} normal block at 0x000001A85CC3B3C0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x000001A85B17FAA0, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x000001A85B17FB80, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x000001A85B17F560, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x000001A85B17F5D0, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x000001A85CC3B5C0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x000001A85CC30440, 160 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) : {3835136} normal block at 0x000001A85B176CB0, 8 bytes long.
 Data: <  &#160;\&#168;   > 00 00 A0 5C A8 01 00 00 
{3834541} normal block at 0x000001A85CC30360, 160 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 0x000001A85B176F80, 8 bytes long.
 Data: <&#224;c&#205;\&#168;   > E0 63 CD 5C A8 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A85B17FEC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A85B16B040, 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 0x000001A85B181590, 16 bytes long.
 Data: <&#248;5 [&#168;           > F8 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A85B1817C0, 16 bytes long.
 Data: <&#208;5 [&#168;           > D0 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A85B17CD80, 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 0x000001A85B181D10, 16 bytes long.
 Data: <&#168;5 [&#168;           > A8 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A85B181770, 16 bytes long.
 Data: < 5 [&#168;           > 80 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A85B181270, 16 bytes long.
 Data: <X5 [&#168;           > 58 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A85B181310, 16 bytes long.
 Data: <05 [&#168;           > 30 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A85B17FB10, 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 0x000001A85B181130, 16 bytes long.
 Data: <&#168;&#188; [&#168;           > A8 BC 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A85B17D260, 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 0x000001A85B181220, 16 bytes long.
 Data: < &#188; [&#168;           > 80 BC 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A85B1810E0, 16 bytes long.
 Data: <X&#188; [&#168;           > 58 BC 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A85B181090, 16 bytes long.
 Data: <0&#188; [&#168;           > 30 BC 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A85B181720, 16 bytes long.
 Data: < &#188; [&#168;           > 08 BC 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A85B181BD0, 16 bytes long.
 Data: <&#224;&#187; [&#168;           > E0 BB 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A85B181B30, 16 bytes long.
 Data: <&#184;&#187; [&#168;           > B8 BB 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A85B17CF00, 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 0x000001A85B180FF0, 16 bytes long.
 Data: < &#187; [&#168;           > 90 BB 16 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A85B16BB90, 320 bytes long.
 Data: <&#240;  [&#168;    &#207; [&#168;   > F0 0F 18 5B A8 01 00 00 00 CF 17 5B A8 01 00 00 
{273} normal block at 0x000001A85B1818B0, 16 bytes long.
 Data: < 5 [&#168;           > 10 35 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A85B180F50, 16 bytes long.
 Data: <&#232;4 [&#168;           > E8 34 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A85B17CD20, 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 0x000001A85B181E50, 16 bytes long.
 Data: <&#192;4 [&#168;           > C0 34 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A85B17D440, 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 0x000001A85B181AE0, 16 bytes long.
 Data: < 4 [&#168;           > 08 34 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A85B1816D0, 16 bytes long.
 Data: <&#224;3 [&#168;           > E0 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A85B1812C0, 16 bytes long.
 Data: <&#184;3 [&#168;           > B8 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A85B181D60, 16 bytes long.
 Data: < 3 [&#168;           > 90 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A85B181B80, 16 bytes long.
 Data: <h3 [&#168;           > 68 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A85B181040, 16 bytes long.
 Data: <@3 [&#168;           > 40 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A85B181DB0, 16 bytes long.
 Data: < &#247; [&#168;           > 20 F7 17 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A85B17F720, 40 bytes long.
 Data: <&#176;  [&#168;   &#192;&#181;&#195;\&#168;   > B0 1D 18 5B A8 01 00 00 C0 B5 C3 5C A8 01 00 00 
{259} normal block at 0x000001A85B181630, 16 bytes long.
 Data: < 3 [&#168;           > 20 33 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A85B181450, 16 bytes long.
 Data: <&#248;2 [&#168;           > F8 32 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A85B17D0E0, 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 0x000001A85B1819F0, 16 bytes long.
 Data: <&#208;2 [&#168;           > D0 32 18 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A85B1832D0, 992 bytes long.
 Data: <&#240;  [&#168;   &#224;&#208; [&#168;   > F0 19 18 5B A8 01 00 00 E0 D0 17 5B A8 01 00 00 
{91} normal block at 0x000001A85B17C9C0, 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 0x000001A85B176D00, 16 bytes long.
 Data: < &#244; [&#168;           > 80 F4 17 5B A8 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001A85B17F480, 40 bytes long.
 Data: < m [&#168;   &#192;&#201; [&#168;   > 00 6D 17 5B A8 01 00 00 C0 C9 17 5B A8 01 00 00 
{68} normal block at 0x000001A85B1763A0, 16 bytes long.
 Data: < &#234;&#238;&#182;&#247;           > 80 EA EE B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A85B1770C0, 16 bytes long.
 Data: <@&#233;&#238;&#182;&#247;           > 40 E9 EE B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A85B176C10, 16 bytes long.
 Data: <&#248;W&#235;&#182;&#247;           > F8 57 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A85B176B20, 16 bytes long.
 Data: <&#216;W&#235;&#182;&#247;           > D8 57 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A85B1769E0, 16 bytes long.
 Data: <P &#235;&#182;&#247;           > 50 04 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A85B176350, 16 bytes long.
 Data: <0 &#235;&#182;&#247;           > 30 04 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A85B176EE0, 16 bytes long.
 Data: <&#224; &#235;&#182;&#247;           > E0 02 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A85B176530, 16 bytes long.
 Data: <  &#235;&#182;&#247;           > 10 04 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A85B176FD0, 16 bytes long.
 Data: <p &#235;&#182;&#247;           > 70 04 EB B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A85B176A80, 16 bytes long.
 Data: < &#192;&#233;&#182;&#247;           > 18 C0 E9 B6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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