Task 38646592

Name test_696-GPUGRID_TEST_ATM_1000_20261023-0-1-RND5086_0
Workunit 31591533
Created 23 Oct 2026, 16:41:08 UTC
Sent 23 Oct 2026, 17:45:17 UTC
Report deadline 28 Oct 2026, 17:45:17 UTC
Received 23 Oct 2026, 18:06:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 20 min 24 sec
CPU time 18 min 4 sec
Validate state Valid
Credit 1,000.00
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 719.38 MB
Peak swap size 9.93 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:46:26 (28388): wrapper (7.9.26016): starting
14:46:26 (28388): 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
14:46:27 (28388): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:46:27 (28388): 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\2\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\2\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
15:06:10 (28388): C:/Windows/system32/cmd.exe exited; CPU time 1084.078125
15:06:10 (28388): 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: 22063501 bytes.
Dumping objects ->
{3835223} normal block at 0x000001D172131330, 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 0x000001D172130B50, 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 0x000001D172130DF0, 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 0x000001D1721308B0, 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 0x000001D172130AE0, 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 0x000001D1721DB400, 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 0x000001D1704FC8C0, 8 bytes long.
 Data: <  &#140;p&#209;   > 00 00 8C 70 D1 01 00 00 
{3833977} normal block at 0x000001D1704FC0F0, 8 bytes long.
 Data: <0&#235; r&#209;   > 30 EB 13 72 D1 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001D1704FDC70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001D1704F0DE0, 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 0x000001D170503E80, 16 bytes long.
 Data: < UPp&#209;           > 18 55 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001D170504920, 16 bytes long.
 Data: <&#240;TPp&#209;           > F0 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D1704FE250, 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 0x000001D170504D80, 16 bytes long.
 Data: <&#200;TPp&#209;           > C8 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D1705047E0, 16 bytes long.
 Data: <&#160;TPp&#209;           > A0 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D170503FC0, 16 bytes long.
 Data: <xTPp&#209;           > 78 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D170504D30, 16 bytes long.
 Data: <PTPp&#209;           > 50 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D1704FF020, 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 0x000001D170504C90, 16 bytes long.
 Data: <&#248; Op&#209;           > F8 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D1704FE190, 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 0x000001D170504290, 16 bytes long.
 Data: <&#208; Op&#209;           > D0 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D1705046F0, 16 bytes long.
 Data: <&#168; Op&#209;           > A8 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D1705046A0, 16 bytes long.
 Data: <  Op&#209;           > 80 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D170504830, 16 bytes long.
 Data: <X Op&#209;           > 58 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D170504330, 16 bytes long.
 Data: <0 Op&#209;           > 30 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D1705041F0, 16 bytes long.
 Data: <  Op&#209;           > 08 17 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D1704FEE50, 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 0x000001D1705043D0, 16 bytes long.
 Data: <&#224; Op&#209;           > E0 16 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D1704F16E0, 320 bytes long.
 Data: <&#208;CPp&#209;   P&#238;Op&#209;   > D0 43 50 70 D1 01 00 00 50 EE 4F 70 D1 01 00 00 
{284} normal block at 0x000001D170504CE0, 16 bytes long.
 Data: <0TPp&#209;           > 30 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D170504C40, 16 bytes long.
 Data: < TPp&#209;           > 08 54 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D1704FE1F0, 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 0x000001D170504650, 16 bytes long.
 Data: <&#224;SPp&#209;           > E0 53 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D1704FE370, 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 0x000001D170504510, 16 bytes long.
 Data: <(SPp&#209;           > 28 53 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D170504380, 16 bytes long.
 Data: < SPp&#209;           > 00 53 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D170504560, 16 bytes long.
 Data: <&#216;RPp&#209;           > D8 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D170504470, 16 bytes long.
 Data: <&#176;RPp&#209;           > B0 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D170504B00, 16 bytes long.
 Data: < RPp&#209;           > 88 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D170504AB0, 16 bytes long.
 Data: <`RPp&#209;           > 60 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D170504BA0, 16 bytes long.
 Data: < &#240;Op&#209;           > 90 F0 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D1704FF090, 40 bytes long.
 Data: <&#160;KPp&#209;    &#180; r&#209;   > A0 4B 50 70 D1 01 00 00 00 B4 1D 72 D1 01 00 00 
{270} normal block at 0x000001D170504790, 16 bytes long.
 Data: <@RPp&#209;           > 40 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D170504BF0, 16 bytes long.
 Data: < RPp&#209;           > 18 52 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D1704FE6D0, 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 0x000001D170503E30, 16 bytes long.
 Data: <&#240;QPp&#209;           > F0 51 50 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D1705051F0, 992 bytes long.
 Data: <0>Pp&#209;   &#208;&#230;Op&#209;   > 30 3E 50 70 D1 01 00 00 D0 E6 4F 70 D1 01 00 00 
{102} normal block at 0x000001D1704FE5B0, 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 0x000001D1704FBC40, 16 bytes long.
 Data: < &#244;Op&#209;           > 80 F4 4F 70 D1 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001D1704FF480, 40 bytes long.
 Data: <@&#188;Op&#209;   &#176;&#229;Op&#209;   > 40 BC 4F 70 D1 01 00 00 B0 E5 4F 70 D1 01 00 00 
{79} normal block at 0x000001D1704FC2D0, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001D1704FC500, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D1704FC460, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D1704FC3C0, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D1704FBBA0, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D1704FBB50, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D1704FCA50, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D1704FC550, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D1704FC4B0, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D1704FC050, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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