Task 38685929

Name test_766-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4433_0
Workunit 31627382
Created 27 Oct 2026, 23:44:00 UTC
Sent 27 Oct 2026, 23:44:08 UTC
Report deadline 1 Nov 2026, 23:44:08 UTC
Received 28 Oct 2026, 4:41:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 561090
Run time 44 min 22 sec
CPU time 44 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,189.73 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 3.77 GB
Peak swap size 3.76 GB
Peak disk usage 3.99 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:56:00 (3676): wrapper (7.9.26016): starting
22:56:00 (3676): 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
22:56:02 (3676): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:56:02 (3676): 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\4\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\4\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
23:41:23 (3676): C:/Windows/system32/cmd.exe exited; CPU time 2662.062500
23:41:23 (3676): 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: 49362763 bytes.
Dumping objects ->
{3835191} normal block at 0x000001ED6F801760, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000001ED6F800DC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x000001ED6F8018B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835158} normal block at 0x000001ED6F801220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x000001ED6F8017D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835116} normal block at 0x000001ED6F90C290, 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) : {3835103} normal block at 0x000001ED6DD76050, 8 bytes long.
 Data: <  &#211;m&#237;   > 00 00 D3 6D ED 01 00 00 
{3833951} normal block at 0x000001ED6DD76410, 8 bytes long.
 Data: <&#160;  o&#237;   > A0 1C 80 6F ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001ED6DD80660, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED6DD66410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001ED6DD81740, 16 bytes long.
 Data: <h;&#216;m&#237;           > 68 3B D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED6DD816F0, 16 bytes long.
 Data: <@;&#216;m&#237;           > 40 3B D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001ED6DD7AD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001ED6DD81BA0, 16 bytes long.
 Data: < ;&#216;m&#237;           > 18 3B D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED6DD816A0, 16 bytes long.
 Data: <&#240;:&#216;m&#237;           > F0 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED6DD81A10, 16 bytes long.
 Data: <&#200;:&#216;m&#237;           > C8 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED6DD81F60, 16 bytes long.
 Data: <&#160;:&#216;m&#237;           > A0 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED6DD7D4C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001ED6DD81B50, 16 bytes long.
 Data: <&#168;c&#214;m&#237;           > A8 63 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED6DD7B230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001ED6DD81920, 16 bytes long.
 Data: < c&#214;m&#237;           > 80 63 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001ED6DD81650, 16 bytes long.
 Data: <Xc&#214;m&#237;           > 58 63 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED6DD81600, 16 bytes long.
 Data: <0c&#214;m&#237;           > 30 63 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED6DD81F10, 16 bytes long.
 Data: < c&#214;m&#237;           > 08 63 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001ED6DD81E70, 16 bytes long.
 Data: <&#224;b&#214;m&#237;           > E0 62 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED6DD81B00, 16 bytes long.
 Data: <&#184;b&#214;m&#237;           > B8 62 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001ED6DD7BA10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001ED6DD815B0, 16 bytes long.
 Data: < b&#214;m&#237;           > 90 62 D6 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED6DD66290, 320 bytes long.
 Data: <&#176; &#216;m&#237;    &#186;&#215;m&#237;   > B0 15 D8 6D ED 01 00 00 10 BA D7 6D ED 01 00 00 
{271} normal block at 0x000001ED6DD81E20, 16 bytes long.
 Data: < :&#216;m&#237;           > 80 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED6DD817E0, 16 bytes long.
 Data: <X:&#216;m&#237;           > 58 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED6DD7B7D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001ED6DD81560, 16 bytes long.
 Data: <0:&#216;m&#237;           > 30 3A D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED6DD7B0B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001ED6DD81510, 16 bytes long.
 Data: <x9&#216;m&#237;           > 78 39 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001ED6DD81970, 16 bytes long.
 Data: <P9&#216;m&#237;           > 50 39 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED6DD82370, 16 bytes long.
 Data: <(9&#216;m&#237;           > 28 39 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED6DD81DD0, 16 bytes long.
 Data: < 9&#216;m&#237;           > 00 39 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001ED6DD82320, 16 bytes long.
 Data: <&#216;8&#216;m&#237;           > D8 38 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED6DD81D80, 16 bytes long.
 Data: <&#176;8&#216;m&#237;           > B0 38 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001ED6DD814C0, 16 bytes long.
 Data: <p&#211;&#215;m&#237;           > 70 D3 D7 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001ED6DD7D370, 40 bytes long.
 Data: <&#192; &#216;m&#237;    &#194; o&#237;   > C0 14 D8 6D ED 01 00 00 90 C2 90 6F ED 01 00 00 
{257} normal block at 0x000001ED6DD81790, 16 bytes long.
 Data: < 8&#216;m&#237;           > 90 38 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001ED6DD82280, 16 bytes long.
 Data: <h8&#216;m&#237;           > 68 38 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001ED6DD7B4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001ED6DD81AB0, 16 bytes long.
 Data: <@8&#216;m&#237;           > 40 38 D8 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001ED6DD83840, 992 bytes long.
 Data: <&#176; &#216;m&#237;   &#208;&#180;&#215;m&#237;   > B0 1A D8 6D ED 01 00 00 D0 B4 D7 6D ED 01 00 00 
{89} normal block at 0x000001ED6DD7B590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001ED6DD76960, 16 bytes long.
 Data: <&#240;&#207;&#215;m&#237;           > F0 CF D7 6D ED 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001ED6DD7CFF0, 40 bytes long.
 Data: <`i&#215;m&#237;    &#181;&#215;m&#237;   > 60 69 D7 6D ED 01 00 00 90 B5 D7 6D ED 01 00 00 
{66} normal block at 0x000001ED6DD767D0, 16 bytes long.
 Data: < &#234;&#186;W&#247;           > 80 EA BA 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED6DD76780, 16 bytes long.
 Data: <@&#233;&#186;W&#247;           > 40 E9 BA 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001ED6DD76550, 16 bytes long.
 Data: <&#248;W&#183;W&#247;           > F8 57 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001ED6DD76910, 16 bytes long.
 Data: <&#216;W&#183;W&#247;           > D8 57 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001ED6DD766E0, 16 bytes long.
 Data: <P &#183;W&#247;           > 50 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001ED6DD75EC0, 16 bytes long.
 Data: <0 &#183;W&#247;           > 30 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001ED6DD76190, 16 bytes long.
 Data: <&#224; &#183;W&#247;           > E0 02 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001ED6DD76B90, 16 bytes long.
 Data: <  &#183;W&#247;           > 10 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001ED6DD76A00, 16 bytes long.
 Data: <p &#183;W&#247;           > 70 04 B7 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001ED6DD768C0, 16 bytes long.
 Data: < &#192;&#181;W&#247;           > 18 C0 B5 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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