Task 38670658

Name test_86-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4656_1
Workunit 31612857
Created 25 Oct 2026, 18:12:28 UTC
Sent 25 Oct 2026, 18:12:32 UTC
Report deadline 30 Oct 2026, 18:12:32 UTC
Received 25 Oct 2026, 20:25:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644191
Run time 38 min 49 sec
CPU time 35 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,717.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.67 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:47:26 (25276): wrapper (7.9.26016): starting
20:47:26 (25276): 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
20:47:27 (25276): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:47:27 (25276): 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\7\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\7\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
21:25:06 (25276): C:/Windows/system32/cmd.exe exited; CPU time 2117.484375
21:25:06 (25276): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 33264299 bytes.
Dumping objects ->
{3835286} normal block at 0x000001F8E3E85210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001F8E3E84E20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000001F8E3E85130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x000001F8E3E85280, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001F8E3E84F70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x000001F8E59F9690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x000001F8E3E6E700, 235 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) : {3835197} normal block at 0x000001F8E3E7DDA0, 8 bytes long.
 Data: <  3&#228;&#248;   > 00 00 33 E4 F8 01 00 00 
{3834575} normal block at 0x000001F8E3E6E830, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001F8E3E7DBC0, 8 bytes long.
 Data: <&#160;K&#165;&#229;&#248;   > A0 4B A5 E5 F8 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001F8E3E82130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F8E3E75AC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001F8E3E868C0, 16 bytes long.
 Data: <&#168;l&#232;&#227;&#248;           > A8 6C E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F8E3E86640, 16 bytes long.
 Data: < l&#232;&#227;&#248;           > 80 6C E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F8E3E80220, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001F8E3E859C0, 16 bytes long.
 Data: <Xl&#232;&#227;&#248;           > 58 6C E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F8E3E85D80, 16 bytes long.
 Data: <0l&#232;&#227;&#248;           > 30 6C E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F8E3E860A0, 16 bytes long.
 Data: < l&#232;&#227;&#248;           > 08 6C E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F8E3E86140, 16 bytes long.
 Data: <&#224;k&#232;&#227;&#248;           > E0 6B E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F8E3E84F00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001F8E3E85FB0, 16 bytes long.
 Data: <&#232;&#241;&#230;&#227;&#248;           > E8 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F8E3E7F560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001F8E3E86190, 16 bytes long.
 Data: <&#192;&#241;&#230;&#227;&#248;           > C0 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F8E3E85D30, 16 bytes long.
 Data: < &#241;&#230;&#227;&#248;           > 98 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F8E3E86870, 16 bytes long.
 Data: <p&#241;&#230;&#227;&#248;           > 70 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F8E3E86820, 16 bytes long.
 Data: <H&#241;&#230;&#227;&#248;           > 48 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F8E3E862D0, 16 bytes long.
 Data: < &#241;&#230;&#227;&#248;           > 20 F1 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F8E3E85B00, 16 bytes long.
 Data: <&#248;&#240;&#230;&#227;&#248;           > F8 F0 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F8E3E7F980, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001F8E3E86410, 16 bytes long.
 Data: <&#208;&#240;&#230;&#227;&#248;           > D0 F0 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F8E3E6F0D0, 320 bytes long.
 Data: < d&#232;&#227;&#248;    &#249;&#231;&#227;&#248;   > 10 64 E8 E3 F8 01 00 00 80 F9 E7 E3 F8 01 00 00 
{269} normal block at 0x000001F8E3E86280, 16 bytes long.
 Data: <&#192;k&#232;&#227;&#248;           > C0 6B E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F8E3E860F0, 16 bytes long.
 Data: < k&#232;&#227;&#248;           > 98 6B E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F8E3E7FF20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001F8E3E86370, 16 bytes long.
 Data: <pk&#232;&#227;&#248;           > 70 6B E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F8E3E7F920, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001F8E3E867D0, 16 bytes long.
 Data: <&#184;j&#232;&#227;&#248;           > B8 6A E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F8E3E85F60, 16 bytes long.
 Data: < j&#232;&#227;&#248;           > 90 6A E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F8E3E86730, 16 bytes long.
 Data: <hj&#232;&#227;&#248;           > 68 6A E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F8E3E85CE0, 16 bytes long.
 Data: <@j&#232;&#227;&#248;           > 40 6A E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F8E3E866E0, 16 bytes long.
 Data: < j&#232;&#227;&#248;           > 18 6A E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F8E3E865F0, 16 bytes long.
 Data: <&#240;i&#232;&#227;&#248;           > F0 69 E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F8E3E86500, 16 bytes long.
 Data: < N&#232;&#227;&#248;           > 90 4E E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F8E3E84E90, 40 bytes long.
 Data: < e&#232;&#227;&#248;    &#150;&#159;&#229;&#248;   > 00 65 E8 E3 F8 01 00 00 90 96 9F E5 F8 01 00 00 
{255} normal block at 0x000001F8E3E85BA0, 16 bytes long.
 Data: <&#208;i&#232;&#227;&#248;           > D0 69 E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F8E3E86460, 16 bytes long.
 Data: <&#168;i&#232;&#227;&#248;           > A8 69 E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F8E3E7F3E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001F8E3E864B0, 16 bytes long.
 Data: < i&#232;&#227;&#248;           > 80 69 E8 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001F8E3E86980, 992 bytes long.
 Data: <&#176;d&#232;&#227;&#248;   &#224;&#243;&#231;&#227;&#248;   > B0 64 E8 E3 F8 01 00 00 E0 F3 E7 E3 F8 01 00 00 
{87} normal block at 0x000001F8E3E7FFE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001F8E3E7E340, 16 bytes long.
 Data: < &#215;&#230;&#227;&#248;           > 00 D7 E6 E3 F8 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001F8E3E6D700, 40 bytes long.
 Data: <@&#227;&#231;&#227;&#248;   &#224;&#255;&#231;&#227;&#248;   > 40 E3 E7 E3 F8 01 00 00 E0 FF E7 E3 F8 01 00 00 
{64} normal block at 0x000001F8E3E7E160, 16 bytes long.
 Data: < &#234;&#202;&#215;&#246;           > 80 EA CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F8E3E7DAD0, 16 bytes long.
 Data: <@&#233;&#202;&#215;&#246;           > 40 E9 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F8E3E7D8F0, 16 bytes long.
 Data: <&#248;W&#199;&#215;&#246;           > F8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F8E3E7D7B0, 16 bytes long.
 Data: <&#216;W&#199;&#215;&#246;           > D8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F8E3E7E020, 16 bytes long.
 Data: <P &#199;&#215;&#246;           > 50 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F8E3E7D760, 16 bytes long.
 Data: <0 &#199;&#215;&#246;           > 30 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F8E3E7E200, 16 bytes long.
 Data: <&#224; &#199;&#215;&#246;           > E0 02 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F8E3E7D670, 16 bytes long.
 Data: <  &#199;&#215;&#246;           > 10 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F8E3E7DF30, 16 bytes long.
 Data: <p &#199;&#215;&#246;           > 70 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001F8E3E7DF80, 16 bytes long.
 Data: < &#192;&#197;&#215;&#246;           > 18 C0 C5 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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