Task 38685764

Name test_238-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND1647_0
Workunit 31627222
Created 27 Oct 2026, 22:48:18 UTC
Sent 27 Oct 2026, 22:48:26 UTC
Report deadline 1 Nov 2026, 22:48:26 UTC
Received 28 Oct 2026, 1:11:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 34 sec
CPU time 33 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.07 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:27:15 (14176): wrapper (7.9.26016): starting
20:27:15 (14176): 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
20:27:17 (14176): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:27:17 (14176): 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
21:01:29 (14176): C:/Windows/system32/cmd.exe exited; CPU time 2018.234375
21:01:29 (14176): 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: 35631949 bytes.
Dumping objects ->
{3835185} normal block at 0x000001D774835EE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001D774835E70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001D774835E00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000001D774836500, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000001D7748363B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000001D7765BA200, 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) : {3835097} normal block at 0x000001D7748319A0, 8 bytes long.
 Data: <  &#202;t&#215;   > 00 00 CA 74 D7 01 00 00 
{3833953} normal block at 0x000001D774831F40, 8 bytes long.
 Data: <&#160;Zdv&#215;   > A0 5A 64 76 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001D77482FED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D774826FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001D7748368E0, 16 bytes long.
 Data: <x&#240;&#130;t&#215;           > 78 F0 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D7748369D0, 16 bytes long.
 Data: <P&#240;&#130;t&#215;           > 50 F0 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D774830940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001D774837330, 16 bytes long.
 Data: <(&#240;&#130;t&#215;           > 28 F0 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D7748367A0, 16 bytes long.
 Data: < &#240;&#130;t&#215;           > 00 F0 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D774836980, 16 bytes long.
 Data: <&#216;&#239;&#130;t&#215;           > D8 EF 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D774836F20, 16 bytes long.
 Data: <&#176;&#239;&#130;t&#215;           > B0 EF 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D774836260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001D774836750, 16 bytes long.
 Data: <X&#149;&#130;t&#215;           > 58 95 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D774830460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001D774836890, 16 bytes long.
 Data: <0&#149;&#130;t&#215;           > 30 95 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D774836840, 16 bytes long.
 Data: < &#149;&#130;t&#215;           > 08 95 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D774836CF0, 16 bytes long.
 Data: <&#224;&#148;&#130;t&#215;           > E0 94 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D774836A20, 16 bytes long.
 Data: <&#184;&#148;&#130;t&#215;           > B8 94 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D774836BB0, 16 bytes long.
 Data: < &#148;&#130;t&#215;           > 90 94 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D774836610, 16 bytes long.
 Data: <h&#148;&#130;t&#215;           > 68 94 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D774831240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001D774836AC0, 16 bytes long.
 Data: <@&#148;&#130;t&#215;           > 40 94 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D774829440, 320 bytes long.
 Data: <&#192;j&#131;t&#215;   @ &#131;t&#215;   > C0 6A 83 74 D7 01 00 00 40 12 83 74 D7 01 00 00 
{272} normal block at 0x000001D7748371A0, 16 bytes long.
 Data: < &#239;&#130;t&#215;           > 90 EF 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D774836ED0, 16 bytes long.
 Data: <h&#239;&#130;t&#215;           > 68 EF 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D774830880, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001D774836700, 16 bytes long.
 Data: <@&#239;&#130;t&#215;           > 40 EF 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D774830760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001D7748372E0, 16 bytes long.
 Data: < &#238;&#130;t&#215;           > 88 EE 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D774837150, 16 bytes long.
 Data: <`&#238;&#130;t&#215;           > 60 EE 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D7748367F0, 16 bytes long.
 Data: <8&#238;&#130;t&#215;           > 38 EE 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7748366B0, 16 bytes long.
 Data: < &#238;&#130;t&#215;           > 10 EE 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D774836B10, 16 bytes long.
 Data: <&#232;&#237;&#130;t&#215;           > E8 ED 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D774837100, 16 bytes long.
 Data: <&#192;&#237;&#130;t&#215;           > C0 ED 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D774837010, 16 bytes long.
 Data: < a&#131;t&#215;           > 10 61 83 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D774836110, 40 bytes long.
 Data: < p&#131;t&#215;    &#162;[v&#215;   > 10 70 83 74 D7 01 00 00 00 A2 5B 76 D7 01 00 00 
{258} normal block at 0x000001D774836B60, 16 bytes long.
 Data: <&#160;&#237;&#130;t&#215;           > A0 ED 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D774836E80, 16 bytes long.
 Data: <x&#237;&#130;t&#215;           > 78 ED 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D7748307C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001D7748370B0, 16 bytes long.
 Data: <P&#237;&#130;t&#215;           > 50 ED 82 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D77482ED50, 992 bytes long.
 Data: <&#176;p&#131;t&#215;   &#192; &#131;t&#215;   > B0 70 83 74 D7 01 00 00 C0 07 83 74 D7 01 00 00 
{90} normal block at 0x000001D774831120, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001D774832080, 16 bytes long.
 Data: <&#208;&#197; t&#215;           > D0 C5 81 74 D7 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001D77481C5D0, 40 bytes long.
 Data: <  &#131;t&#215;     &#131;t&#215;   > 80 20 83 74 D7 01 00 00 20 11 83 74 D7 01 00 00 
{67} normal block at 0x000001D774832030, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D774831EA0, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D7748322B0, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D7748319F0, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D774831EF0, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D7748314A0, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D774831950, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D774831540, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D7748318B0, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D7748321C0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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