Task 38680294

Name test_860-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1873_0
Workunit 31622020
Created 26 Oct 2026, 23:27:04 UTC
Sent 26 Oct 2026, 23:27:08 UTC
Report deadline 31 Oct 2026, 23:27:08 UTC
Received 27 Oct 2026, 0:05:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 21 sec
CPU time 14 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.52 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:50:15 (37824): wrapper (7.9.26016): starting
19:50:15 (37824): 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
19:50:16 (37824): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:50:16 (37824): 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\0\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\0\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
20:04:58 (37824): C:/Windows/system32/cmd.exe exited; CPU time 882.421875
20:04:58 (37824): 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: 21284093 bytes.
Dumping objects ->
{3835501} normal block at 0x000001A66FD82720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000001A66FD82870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000001A66FD826B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000001A66FD82640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001A66FD82AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000001A671A1AC20, 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) : {3835413} normal block at 0x000001A66FD7D280, 8 bytes long.
 Data: <  &#206;o&#166;   > 00 00 CE 6F A6 01 00 00 
{3833939} normal block at 0x000001A66FD7D050, 8 bytes long.
 Data: <&#240;)&#175;q&#166;   > F0 29 AF 71 A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000001A66FD7D4D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A66FD75520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000001A66FD838E0, 16 bytes long.
 Data: < .&#216;o&#166;           > 88 2E D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A66FD83610, 16 bytes long.
 Data: <`.&#216;o&#166;           > 60 2E D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A66FD81570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000001A66FD83CA0, 16 bytes long.
 Data: <8.&#216;o&#166;           > 38 2E D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A66FD83480, 16 bytes long.
 Data: < .&#216;o&#166;           > 10 2E D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A66FD834D0, 16 bytes long.
 Data: <&#232;-&#216;o&#166;           > E8 2D D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A66FD832F0, 16 bytes long.
 Data: <&#192;-&#216;o&#166;           > C0 2D D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A66FD828E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000001A66FD83570, 16 bytes long.
 Data: <(&#178;&#214;o&#166;           > 28 B2 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A66FD81B10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000001A66FD83430, 16 bytes long.
 Data: < &#178;&#214;o&#166;           > 00 B2 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A66FD83B60, 16 bytes long.
 Data: <&#216;&#177;&#214;o&#166;           > D8 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A66FD83DE0, 16 bytes long.
 Data: <&#176;&#177;&#214;o&#166;           > B0 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A66FD83ED0, 16 bytes long.
 Data: < &#177;&#214;o&#166;           > 88 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A66FD830C0, 16 bytes long.
 Data: <`&#177;&#214;o&#166;           > 60 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A66FD83E80, 16 bytes long.
 Data: <8&#177;&#214;o&#166;           > 38 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A66FD814B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000001A66FD83070, 16 bytes long.
 Data: < &#177;&#214;o&#166;           > 10 B1 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A66FD6B110, 320 bytes long.
 Data: <p0&#216;o&#166;   &#176; &#216;o&#166;   > 70 30 D8 6F A6 01 00 00 B0 14 D8 6F A6 01 00 00 
{265} normal block at 0x000001A66FD83390, 16 bytes long.
 Data: <&#160;-&#216;o&#166;           > A0 2D D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A66FD83E30, 16 bytes long.
 Data: <x-&#216;o&#166;           > 78 2D D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A66FD82290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000001A66FD83520, 16 bytes long.
 Data: <P-&#216;o&#166;           > 50 2D D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A66FD817B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000001A66FD83840, 16 bytes long.
 Data: < ,&#216;o&#166;           > 98 2C D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A66FD831B0, 16 bytes long.
 Data: <p,&#216;o&#166;           > 70 2C D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A66FD83C50, 16 bytes long.
 Data: <H,&#216;o&#166;           > 48 2C D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A66FD833E0, 16 bytes long.
 Data: < ,&#216;o&#166;           > 20 2C D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001A66FD7C970, 16 bytes long.
 Data: <&#248;+&#216;o&#166;           > F8 2B D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A66FD7C920, 16 bytes long.
 Data: <&#208;+&#216;o&#166;           > D0 2B D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001A66FD7C790, 16 bytes long.
 Data: < $&#216;o&#166;           > 80 24 D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001A66FD82480, 40 bytes long.
 Data: < &#199;&#215;o&#166;    &#172;&#161;q&#166;   > 90 C7 D7 6F A6 01 00 00 20 AC A1 71 A6 01 00 00 
{251} normal block at 0x000001A66FD7C6F0, 16 bytes long.
 Data: <&#176;+&#216;o&#166;           > B0 2B D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001A66FD7C4C0, 16 bytes long.
 Data: < +&#216;o&#166;           > 88 2B D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001A66FD81AB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000001A66FD7D2D0, 16 bytes long.
 Data: <`+&#216;o&#166;           > 60 2B D8 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000001A66FD82B60, 992 bytes long.
 Data: <&#208;&#210;&#215;o&#166;   &#176; &#216;o&#166;   > D0 D2 D7 6F A6 01 00 00 B0 1A D8 6F A6 01 00 00 
{83} normal block at 0x000001A66FD820B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000001A66FD7CC40, 16 bytes long.
 Data: <&#160;&#217;&#214;o&#166;           > A0 D9 D6 6F A6 01 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001A66FD6D9A0, 40 bytes long.
 Data: <@&#204;&#215;o&#166;   &#176; &#216;o&#166;   > 40 CC D7 6F A6 01 00 00 B0 20 D8 6F A6 01 00 00 
{60} normal block at 0x000001A66FD7CA10, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A66FD7C650, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001A66FD7C880, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001A66FD7C420, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001A66FD7CF60, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001A66FD7CE20, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001A66FD7C470, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001A66FD7C830, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001A66FD7CCE0, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000001A66FD7CA60, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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