Task 38685410

Name test_241-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND7909_0
Workunit 31626876
Created 27 Oct 2026, 20:55:31 UTC
Sent 27 Oct 2026, 20:55:32 UTC
Report deadline 1 Nov 2026, 20:55:32 UTC
Received 27 Oct 2026, 21:22:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 25 min 26 sec
CPU time 22 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.48 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:56:41 (29788): wrapper (7.9.26016): starting
17:56:41 (29788): 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
17:56:42 (29788): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:42 (29788): 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
18:21:26 (29788): C:/Windows/system32/cmd.exe exited; CPU time 1356.328125
18:21:26 (29788): 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: 26983249 bytes.
Dumping objects ->
{3835223} normal block at 0x000001A68D9D07D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001A68D9D1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001A68D9D0DF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001A68D9D0D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001A68D9D0D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001A68DAABD80, 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) : {3835135} normal block at 0x000001A68BD2C8A0, 8 bytes long.
 Data: <  ;&#140;&#166;   > 00 00 3B 8C A6 01 00 00 
{3833977} normal block at 0x000001A68BD2BF90, 8 bytes long.
 Data: <0&#235;  &#166;   > 30 EB 9D 8D A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001A68BD2D610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001A68BD1FFF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001A68BD342C0, 16 bytes long.
 Data: <&#184;S&#211;&#139;&#166;           > B8 53 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001A68BD33D20, 16 bytes long.
 Data: < S&#211;&#139;&#166;           > 90 53 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001A68BD2E0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001A68BD346D0, 16 bytes long.
 Data: <hS&#211;&#139;&#166;           > 68 53 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001A68BD33CD0, 16 bytes long.
 Data: <@S&#211;&#139;&#166;           > 40 53 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A68BD33F50, 16 bytes long.
 Data: < S&#211;&#139;&#166;           > 18 53 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A68BD34680, 16 bytes long.
 Data: <&#240;R&#211;&#139;&#166;           > F0 52 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A68BD2F1D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001A68BD34BD0, 16 bytes long.
 Data: <&#200; &#210;&#139;&#166;           > C8 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A68BD2E030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001A68BD34A40, 16 bytes long.
 Data: <&#160; &#210;&#139;&#166;           > A0 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A68BD34310, 16 bytes long.
 Data: <x &#210;&#139;&#166;           > 78 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A68BD34A90, 16 bytes long.
 Data: <P &#210;&#139;&#166;           > 50 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A68BD34B80, 16 bytes long.
 Data: <( &#210;&#139;&#166;           > 28 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A68BD33E10, 16 bytes long.
 Data: <  &#210;&#139;&#166;           > 00 16 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A68BD348B0, 16 bytes long.
 Data: <&#216; &#210;&#139;&#166;           > D8 15 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A68BD2E750, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001A68BD34090, 16 bytes long.
 Data: <&#176; &#210;&#139;&#166;           > B0 15 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A68BD215B0, 320 bytes long.
 Data: < @&#211;&#139;&#166;   P&#231;&#210;&#139;&#166;   > 90 40 D3 8B A6 01 00 00 50 E7 D2 8B A6 01 00 00 
{284} normal block at 0x000001A68BD344A0, 16 bytes long.
 Data: <&#208;R&#211;&#139;&#166;           > D0 52 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A68BD33FA0, 16 bytes long.
 Data: <&#168;R&#211;&#139;&#166;           > A8 52 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A68BD2E570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001A68BD345E0, 16 bytes long.
 Data: < R&#211;&#139;&#166;           > 80 52 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A68BD2DFD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001A68BD34450, 16 bytes long.
 Data: <&#200;Q&#211;&#139;&#166;           > C8 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A68BD34C20, 16 bytes long.
 Data: <&#160;Q&#211;&#139;&#166;           > A0 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A68BD34720, 16 bytes long.
 Data: <xQ&#211;&#139;&#166;           > 78 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A68BD34400, 16 bytes long.
 Data: <PQ&#211;&#139;&#166;           > 50 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A68BD34590, 16 bytes long.
 Data: <(Q&#211;&#139;&#166;           > 28 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A68BD343B0, 16 bytes long.
 Data: < Q&#211;&#139;&#166;           > 00 51 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A68BD34220, 16 bytes long.
 Data: <&#192;&#245;&#210;&#139;&#166;           > C0 F5 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A68BD2F5C0, 40 bytes long.
 Data: < B&#211;&#139;&#166;    &#189;&#170; &#166;   > 20 42 D3 8B A6 01 00 00 80 BD AA 8D A6 01 00 00 
{270} normal block at 0x000001A68BD34360, 16 bytes long.
 Data: <&#224;P&#211;&#139;&#166;           > E0 50 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A68BD34180, 16 bytes long.
 Data: <&#184;P&#211;&#139;&#166;           > B8 50 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A68BD2E510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001A68BD33F00, 16 bytes long.
 Data: < P&#211;&#139;&#166;           > 90 50 D3 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A68BD35090, 992 bytes long.
 Data: < ?&#211;&#139;&#166;    &#229;&#210;&#139;&#166;   > 00 3F D3 8B A6 01 00 00 10 E5 D2 8B A6 01 00 00 
{102} normal block at 0x000001A68BD2E450, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001A68BD2BB30, 16 bytes long.
 Data: < &#240;&#210;&#139;&#166;           > 10 F0 D2 8B A6 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001A68BD2F010, 40 bytes long.
 Data: <0&#187;&#210;&#139;&#166;   P&#228;&#210;&#139;&#166;   > 30 BB D2 8B A6 01 00 00 50 E4 D2 8B A6 01 00 00 
{79} normal block at 0x000001A68BD2C670, 16 bytes long.
 Data: < &#234;&#216;}&#246;           > 80 EA D8 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001A68BD2C5D0, 16 bytes long.
 Data: <@&#233;&#216;}&#246;           > 40 E9 D8 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001A68BD2BE00, 16 bytes long.
 Data: <&#248;W&#213;}&#246;           > F8 57 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001A68BD2BC70, 16 bytes long.
 Data: <&#216;W&#213;}&#246;           > D8 57 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001A68BD2BCC0, 16 bytes long.
 Data: <P &#213;}&#246;           > 50 04 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A68BD2BF40, 16 bytes long.
 Data: <0 &#213;}&#246;           > 30 04 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A68BD2C800, 16 bytes long.
 Data: <&#224; &#213;}&#246;           > E0 02 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A68BD2BA40, 16 bytes long.
 Data: <  &#213;}&#246;           > 10 04 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A68BD2BEA0, 16 bytes long.
 Data: <p &#213;}&#246;           > 70 04 D5 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A68BD2BDB0, 16 bytes long.
 Data: < &#192;&#211;}&#246;           > 18 C0 D3 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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