Task 38682366

Name test_43-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1355_1
Workunit 31621198
Created 27 Oct 2026, 7:31:30 UTC
Sent 27 Oct 2026, 7:31:35 UTC
Report deadline 1 Nov 2026, 7:31:35 UTC
Received 27 Oct 2026, 8:17:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 44 min 9 sec
CPU time 40 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.51 MB
Peak swap size 5.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:33:48 (9884): wrapper (7.9.26016): starting
02:33:48 (9884): 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
02:33:55 (9884): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:33:55 (9884): 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 'D:\ProgramData\BOINC\slots\3\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 'D:\ProgramData\BOINC\slots\3\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
03:16:55 (9884): C:/Windows/system32/cmd.exe exited; CPU time 2419.468750
03:16:55 (9884): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 41272013 bytes.
Dumping objects ->
{3835319} normal block at 0x000001ED3F348FD0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x000001ED3F348A20, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x000001ED3F3488D0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x000001ED3D79D670, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001ED3D79DD70, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x000001ED3F2EC400, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001ED3F3D9580, 135 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) : {3835230} normal block at 0x000001ED3D797630, 8 bytes long.
 Data: <  t=&#237;   > 00 00 74 3D ED 01 00 00 
{3834589} normal block at 0x000001ED3F3D9310, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001ED3D796E60, 8 bytes long.
 Data: < h@?&#237;   > 90 68 40 3F ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001ED3D7A09A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001ED3D78BFB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001ED3D7A22F0, 16 bytes long.
 Data: < Az=&#237;           > 98 41 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED3D7A18F0, 16 bytes long.
 Data: <pAz=&#237;           > 70 41 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001ED3D79C550, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001ED3D7A1A80, 16 bytes long.
 Data: <HAz=&#237;           > 48 41 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED3D7A2840, 16 bytes long.
 Data: < Az=&#237;           > 20 41 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED3D7A21B0, 16 bytes long.
 Data: <&#248;@z=&#237;           > F8 40 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED3D7A2160, 16 bytes long.
 Data: <&#208;@z=&#237;           > D0 40 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED3D79D750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001ED3D7A1F80, 16 bytes long.
 Data: < &#210;y=&#237;           > 08 D2 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001ED3D79BEF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001ED3D7A27F0, 16 bytes long.
 Data: <&#224;&#209;y=&#237;           > E0 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED3D7A1A30, 16 bytes long.
 Data: <&#184;&#209;y=&#237;           > B8 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED3D7A1D50, 16 bytes long.
 Data: < &#209;y=&#237;           > 90 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED3D7A2700, 16 bytes long.
 Data: <h&#209;y=&#237;           > 68 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED3D7A2660, 16 bytes long.
 Data: <@&#209;y=&#237;           > 40 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED3D7A2610, 16 bytes long.
 Data: < &#209;y=&#237;           > 18 D1 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED3D79BE90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001ED3D7A2750, 16 bytes long.
 Data: <&#240;&#208;y=&#237;           > F0 D0 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ED3D79D0F0, 320 bytes long.
 Data: <P'z=&#237;    &#190;y=&#237;   > 50 27 7A 3D ED 01 00 00 90 BE 79 3D ED 01 00 00 
{270} normal block at 0x000001ED3D7A1C60, 16 bytes long.
 Data: <&#176;@z=&#237;           > B0 40 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED3D7A2110, 16 bytes long.
 Data: < @z=&#237;           > 88 40 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001ED3D79BE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001ED3D7A1F30, 16 bytes long.
 Data: <`@z=&#237;           > 60 40 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED3D79C250, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001ED3D7A20C0, 16 bytes long.
 Data: <&#168;?z=&#237;           > A8 3F 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED3D7A1B70, 16 bytes long.
 Data: < ?z=&#237;           > 80 3F 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED3D7A2020, 16 bytes long.
 Data: <X?z=&#237;           > 58 3F 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED3D7A1CB0, 16 bytes long.
 Data: <0?z=&#237;           > 30 3F 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED3D7A2570, 16 bytes long.
 Data: < ?z=&#237;           > 08 3F 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001ED3D7A1B20, 16 bytes long.
 Data: <&#224;>z=&#237;           > E0 3E 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED3D7A1E40, 16 bytes long.
 Data: < &#220;y=&#237;           > 90 DC 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001ED3D79DC90, 40 bytes long.
 Data: <@ z=&#237;    &#196;.?&#237;   > 40 1E 7A 3D ED 01 00 00 00 C4 2E 3F ED 01 00 00 
{256} normal block at 0x000001ED3D7A1E90, 16 bytes long.
 Data: <&#192;>z=&#237;           > C0 3E 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ED3D7A26B0, 16 bytes long.
 Data: < >z=&#237;           > 98 3E 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001ED3D79BC50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001ED3D7A25C0, 16 bytes long.
 Data: <p>z=&#237;           > 70 3E 7A 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001ED3D7A3E70, 992 bytes long.
 Data: <&#192;%z=&#237;   P&#188;y=&#237;   > C0 25 7A 3D ED 01 00 00 50 BC 79 3D ED 01 00 00 
{88} normal block at 0x000001ED3D79C610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001ED3D796DC0, 16 bytes long.
 Data: <`&#218;y=&#237;           > 60 DA 79 3D ED 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001ED3D79DA60, 40 bytes long.
 Data: <&#192;my=&#237;    &#198;y=&#237;   > C0 6D 79 3D ED 01 00 00 10 C6 79 3D ED 01 00 00 
{65} normal block at 0x000001ED3D796D70, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED3D796D20, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED3D796CD0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED3D796C80, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED3D796C30, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED3D797040, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ED3D797450, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ED3D797090, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ED3D7977C0, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001ED3D797220, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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