Task 38670124

Name test_106-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9817_1
Workunit 31611730
Created 25 Oct 2026, 16:33:16 UTC
Sent 25 Oct 2026, 16:33:20 UTC
Report deadline 30 Oct 2026, 16:33:20 UTC
Received 25 Oct 2026, 17:57:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648094
Run time 21 min 1 sec
CPU time 19 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.35 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:33:13 (8980): wrapper (7.9.26016): starting
12:33:13 (8980): 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
12:33:14 (8980): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:33:14 (8980): 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
12:53:39 (8980): C:/Windows/system32/cmd.exe exited; CPU time 1142.875000
12:53:39 (8980): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14837093 bytes.
Dumping objects ->
{3835569} normal block at 0x0000020C5ACB0D80, 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 0x0000020C5ACB0A70, 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 0x0000020C5ACB0ED0, 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 0x0000020C5ACB0A00, 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 0x0000020C5ACB0920, 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 0x0000020C5ADA5640, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000020C590451E0, 235 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) : {3835480} normal block at 0x0000020C5903F8E0, 8 bytes long.
 Data: <   Y    > 00 00 00 59 0C 02 00 00 
{3834703} normal block at 0x0000020C5AE34E10, 235 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 0x0000020C5903F570, 8 bytes long.
 Data: < I&#227;Z    > 90 49 E3 5A 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020C590414A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020C590376A0, 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 0x0000020C59046190, 16 bytes long.
 Data: <&#232;h Y            > E8 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C59045790, 16 bytes long.
 Data: <&#192;h Y            > C0 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C590402D0, 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 0x0000020C590460A0, 16 bytes long.
 Data: < h Y            > 98 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020C59045A60, 16 bytes long.
 Data: <ph Y            > 70 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C59045650, 16 bytes long.
 Data: <Hh Y            > 48 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020C590456F0, 16 bytes long.
 Data: < h Y            > 20 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020C5902C5E0, 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 0x0000020C59045E20, 16 bytes long.
 Data: < &#180; Y            > 08 B4 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C59040690, 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 0x0000020C59046460, 16 bytes long.
 Data: <&#224;&#179; Y            > E0 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C59045F60, 16 bytes long.
 Data: <&#184;&#179; Y            > B8 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C59046410, 16 bytes long.
 Data: < &#179; Y            > 90 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020C59045CE0, 16 bytes long.
 Data: <h&#179; Y            > 68 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C59045C90, 16 bytes long.
 Data: <@&#179; Y            > 40 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020C59045830, 16 bytes long.
 Data: < &#179; Y            > 18 B3 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C590409F0, 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 0x0000020C59045600, 16 bytes long.
 Data: <&#240;&#178; Y            > F0 B2 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020C5902B2F0, 320 bytes long.
 Data: < V Y    &#240;	 Y    > 00 56 04 59 0C 02 00 00 F0 09 04 59 0C 02 00 00 
{273} normal block at 0x0000020C59045F10, 16 bytes long.
 Data: < h Y            > 00 68 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020C59045D80, 16 bytes long.
 Data: <&#216;g Y            > D8 67 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C59040330, 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 0x0000020C59046550, 16 bytes long.
 Data: <&#176;g Y            > B0 67 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C59040B70, 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 0x0000020C59045740, 16 bytes long.
 Data: <&#248;f Y            > F8 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C590456A0, 16 bytes long.
 Data: <&#208;f Y            > D0 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020C59046140, 16 bytes long.
 Data: <&#168;f Y            > A8 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C590457E0, 16 bytes long.
 Data: < f Y            > 80 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C59045BF0, 16 bytes long.
 Data: <Xf Y            > 58 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020C59045A10, 16 bytes long.
 Data: <0f Y            > 30 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C590460F0, 16 bytes long.
 Data: <`&#222; Y            > 60 DE 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020C5902DE60, 40 bytes long.
 Data: <&#240;` Y    @V&#218;Z    > F0 60 04 59 0C 02 00 00 40 56 DA 5A 0C 02 00 00 
{259} normal block at 0x0000020C59046050, 16 bytes long.
 Data: < f Y            > 10 66 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020C59045E70, 16 bytes long.
 Data: <&#232;e Y            > E8 65 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020C590405D0, 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 0x0000020C59045EC0, 16 bytes long.
 Data: <&#192;e Y            > C0 65 04 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020C590465C0, 992 bytes long.
 Data: <&#192;^ Y    &#208;  Y    > C0 5E 04 59 0C 02 00 00 D0 05 04 59 0C 02 00 00 
{91} normal block at 0x0000020C59040BD0, 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 0x0000020C5903F840, 16 bytes long.
 Data: <&#160;&#219; Y            > A0 DB 02 59 0C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020C5902DBA0, 40 bytes long.
 Data: <@&#248; Y    &#208;  Y    > 40 F8 03 59 0C 02 00 00 D0 0B 04 59 0C 02 00 00 
{68} normal block at 0x0000020C5903F750, 16 bytes long.
 Data: < &#234; &#222;&#246;           > 80 EA 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020C5903FAC0, 16 bytes long.
 Data: <@&#233; &#222;&#246;           > 40 E9 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020C5903EEE0, 16 bytes long.
 Data: <&#248;W &#222;&#246;           > F8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020C5903FCF0, 16 bytes long.
 Data: <&#216;W &#222;&#246;           > D8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020C5903F700, 16 bytes long.
 Data: <P  &#222;&#246;           > 50 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020C5903F110, 16 bytes long.
 Data: <0  &#222;&#246;           > 30 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020C5903F340, 16 bytes long.
 Data: <&#224;  &#222;&#246;           > E0 02 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020C5903F6B0, 16 bytes long.
 Data: <   &#222;&#246;           > 10 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020C5903F3E0, 16 bytes long.
 Data: <p  &#222;&#246;           > 70 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020C5903FCA0, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 0A DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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