Task 38678930

Name test_88-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1073_0
Workunit 31620732
Created 26 Oct 2026, 18:55:51 UTC
Sent 26 Oct 2026, 18:55:57 UTC
Report deadline 31 Oct 2026, 18:55:57 UTC
Received 27 Oct 2026, 16:58:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 27 min 59 sec
CPU time 27 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.93 MB
Peak swap size 12.96 GB
Peak disk usage 3.13 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:29:39 (15800): wrapper (7.9.26016): starting
17:29:39 (15800): 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
17:29:40 (15800): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:29:40 (15800): 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\33\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\33\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
17:57:47 (15800): C:/Windows/system32/cmd.exe exited; CPU time 1679.312500
17:57:47 (15800): 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: 29872711 bytes.
Dumping objects ->
{3835250} normal block at 0x000001AB9AD90D80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000001AB9AD90D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001AB9AD911E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x000001AB9AD915D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001AB9AD913A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x000001AB9AE3B7B0, 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) : {3835162} normal block at 0x000001AB99256A00, 8 bytes long.
 Data: <  &#188;&#154;&#171;   > 00 00 BC 9A AB 01 00 00 
{3833957} normal block at 0x000001AB99256DC0, 8 bytes long.
 Data: <&#160;L&#242;&#154;&#171;   > A0 4C F2 9A AB 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001AB992615C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AB99262500, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001AB99262880, 16 bytes long.
 Data: <&#232;<& &#171;           > E8 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AB992627E0, 16 bytes long.
 Data: <&#192;<& &#171;           > C0 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AB9925BDB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001AB992626A0, 16 bytes long.
 Data: < <& &#171;           > 98 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AB99262F10, 16 bytes long.
 Data: <p<& &#171;           > 70 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AB99262650, 16 bytes long.
 Data: <H<& &#171;           > 48 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AB99262DD0, 16 bytes long.
 Data: < <& &#171;           > 20 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AB9925D1C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001AB99262D30, 16 bytes long.
 Data: < $& &#171;           > 98 24 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AB9925C350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001AB99262D80, 16 bytes long.
 Data: <p$& &#171;           > 70 24 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AB99262CE0, 16 bytes long.
 Data: <H$& &#171;           > 48 24 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AB99262970, 16 bytes long.
 Data: < $& &#171;           > 20 24 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AB992631E0, 16 bytes long.
 Data: <&#248;#& &#171;           > F8 23 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AB99263050, 16 bytes long.
 Data: <&#208;#& &#171;           > D0 23 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AB99262600, 16 bytes long.
 Data: <&#168;#& &#171;           > A8 23 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AB9925BD50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001AB99262C90, 16 bytes long.
 Data: < #& &#171;           > 80 23 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AB99262380, 320 bytes long.
 Data: < ,& &#171;   P&#189;% &#171;   > 90 2C 26 99 AB 01 00 00 50 BD 25 99 AB 01 00 00 
{274} normal block at 0x000001AB99262E70, 16 bytes long.
 Data: < <& &#171;           > 00 3C 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AB99262920, 16 bytes long.
 Data: <&#216;;& &#171;           > D8 3B 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AB9925C2F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001AB99263140, 16 bytes long.
 Data: <&#176;;& &#171;           > B0 3B 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AB9925BCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001AB99262BF0, 16 bytes long.
 Data: <&#248;:& &#171;           > F8 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AB99262B50, 16 bytes long.
 Data: <&#208;:& &#171;           > D0 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AB99262AB0, 16 bytes long.
 Data: <&#168;:& &#171;           > A8 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AB992634B0, 16 bytes long.
 Data: < :& &#171;           > 80 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AB99263320, 16 bytes long.
 Data: <X:& &#171;           > 58 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AB99263460, 16 bytes long.
 Data: <0:& &#171;           > 30 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AB99262A60, 16 bytes long.
 Data: <&#208;&#212;% &#171;           > D0 D4 25 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AB9925D4D0, 40 bytes long.
 Data: <`*& &#171;   &#176;&#183;&#227;&#154;&#171;   > 60 2A 26 99 AB 01 00 00 B0 B7 E3 9A AB 01 00 00 
{260} normal block at 0x000001AB99262A10, 16 bytes long.
 Data: < :& &#171;           > 10 3A 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AB99263000, 16 bytes long.
 Data: <&#232;9& &#171;           > E8 39 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AB9925C530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001AB992626F0, 16 bytes long.
 Data: <&#192;9& &#171;           > C0 39 26 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AB992639C0, 992 bytes long.
 Data: <&#240;&& &#171;   0&#197;% &#171;   > F0 26 26 99 AB 01 00 00 30 C5 25 99 AB 01 00 00 
{92} normal block at 0x000001AB9925C290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001AB99257090, 16 bytes long.
 Data: <&#176;&#213;% &#171;           > B0 D5 25 99 AB 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001AB9925D5B0, 40 bytes long.
 Data: < p% &#171;    &#194;% &#171;   > 90 70 25 99 AB 01 00 00 90 C2 25 99 AB 01 00 00 
{69} normal block at 0x000001AB99256870, 16 bytes long.
 Data: < &#234; F&#247;           > 80 EA 06 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AB99257450, 16 bytes long.
 Data: <@&#233; F&#247;           > 40 E9 06 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AB99256B90, 16 bytes long.
 Data: <&#248;W F&#247;           > F8 57 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AB99256820, 16 bytes long.
 Data: <&#216;W F&#247;           > D8 57 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AB99256F50, 16 bytes long.
 Data: <P  F&#247;           > 50 04 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AB99256E10, 16 bytes long.
 Data: <0  F&#247;           > 30 04 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AB99257040, 16 bytes long.
 Data: <&#224;  F&#247;           > E0 02 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AB99256EB0, 16 bytes long.
 Data: <   F&#247;           > 10 04 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AB99256AF0, 16 bytes long.
 Data: <p  F&#247;           > 70 04 03 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AB99256D70, 16 bytes long.
 Data: < &#192; F&#247;           > 18 C0 01 46 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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