Task 38683240

Name test_782-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND6811_0
Workunit 31624815
Created 27 Oct 2026, 11:02:29 UTC
Sent 27 Oct 2026, 11:02:31 UTC
Report deadline 1 Nov 2026, 11:02:31 UTC
Received 27 Oct 2026, 11:36:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591854
Run time 31 min 57 sec
CPU time 27 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,130.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.62 MB
Peak swap size 3.93 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:06:40 (5580): wrapper (7.9.26016): starting
04:06:40 (5580): 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
04:06:43 (5580): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:06:43 (5580): 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 'D:\S0_4_Boinc-Ssd_mp_80GB\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 'D:\S0_4_Boinc-Ssd_mp_80GB\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
04:35:51 (5580): C:/Windows/system32/cmd.exe exited; CPU time 1623.093750
04:35:51 (5580): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 22049181 bytes.
Dumping objects ->
{3835265} normal block at 0x00000251F6036C10, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835254} normal block at 0x00000251F5FEFC90, 48 bytes long.
 Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835243} normal block at 0x00000251F5FF0080, 48 bytes long.
 Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E 
{3835232} normal block at 0x00000251F5FF0400, 48 bytes long.
 Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835221} normal block at 0x00000251F5FEF8A0, 48 bytes long.
 Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42 
{3835190} normal block at 0x00000251F6038190, 64 bytes long.
 Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 
{3835179} normal block at 0x00000251F43AE390, 102 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) : {3835176} normal block at 0x00000251F42CEE80, 8 bytes long.
 Data: <  &#145;&#244;Q   > 00 00 91 F4 51 02 00 00 
{3834569} normal block at 0x00000251F43AE5A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833979} normal block at 0x00000251F42CED40, 8 bytes long.
 Data: <&#176;&#146; &#246;Q   > B0 92 08 F6 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000251F42D03E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000251F42C78E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x00000251F42D7CC0, 16 bytes long.
 Data: <&#168;&#133;-&#244;Q           > A8 85 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000251F42D8080, 16 bytes long.
 Data: < &#133;-&#244;Q           > 80 85 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000251F42D27C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x00000251F42D7D60, 16 bytes long.
 Data: <X&#133;-&#244;Q           > 58 85 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000251F42D7360, 16 bytes long.
 Data: <0&#133;-&#244;Q           > 30 85 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000251F42D81C0, 16 bytes long.
 Data: < &#133;-&#244;Q           > 08 85 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000251F42D7B80, 16 bytes long.
 Data: <&#224;&#132;-&#244;Q           > E0 84 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000251F42D5910, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x00000251F42D7AE0, 16 bytes long.
 Data: <( ,&#244;Q           > 28 03 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000251F42D2040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x00000251F42D7310, 16 bytes long.
 Data: <  ,&#244;Q           > 00 03 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000251F42D73B0, 16 bytes long.
 Data: <&#216; ,&#244;Q           > D8 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000251F42D75E0, 16 bytes long.
 Data: <&#176; ,&#244;Q           > B0 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000251F42D7900, 16 bytes long.
 Data: <  ,&#244;Q           > 88 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000251F42D72C0, 16 bytes long.
 Data: <` ,&#244;Q           > 60 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000251F42D7BD0, 16 bytes long.
 Data: <8 ,&#244;Q           > 38 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000251F42D2DC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x00000251F42D7A90, 16 bytes long.
 Data: <  ,&#244;Q           > 10 02 2C F4 51 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000251F42C0210, 320 bytes long.
 Data: < z-&#244;Q   &#192;--&#244;Q   > 90 7A 2D F4 51 02 00 00 C0 2D 2D F4 51 02 00 00 
{285} normal block at 0x00000251F42D7A40, 16 bytes long.
 Data: <&#192;&#132;-&#244;Q           > C0 84 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000251F42D7D10, 16 bytes long.
 Data: < &#132;-&#244;Q           > 98 84 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000251F42D2700, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x00000251F42D7B30, 16 bytes long.
 Data: <p&#132;-&#244;Q           > 70 84 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000251F42D2D60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x00000251F42D7720, 16 bytes long.
 Data: <&#184;&#131;-&#244;Q           > B8 83 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000251F42D7590, 16 bytes long.
 Data: < &#131;-&#244;Q           > 90 83 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000251F42D77C0, 16 bytes long.
 Data: <h&#131;-&#244;Q           > 68 83 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000251F42D79A0, 16 bytes long.
 Data: <@&#131;-&#244;Q           > 40 83 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000251F42D7C70, 16 bytes long.
 Data: < &#131;-&#244;Q           > 18 83 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000251F42D7F40, 16 bytes long.
 Data: <&#240;&#130;-&#244;Q           > F0 82 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000251F42D8030, 16 bytes long.
 Data: < \-&#244;Q           > 20 5C 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000251F42D5C20, 40 bytes long.
 Data: <0 -&#244;Q      &#246;Q   > 30 80 2D F4 51 02 00 00 90 81 03 F6 51 02 00 00 
{271} normal block at 0x00000251F42D7540, 16 bytes long.
 Data: <&#208;&#130;-&#244;Q           > D0 82 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000251F42D79F0, 16 bytes long.
 Data: <&#168;&#130;-&#244;Q           > A8 82 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000251F42D2520, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x00000251F42D76D0, 16 bytes long.
 Data: < &#130;-&#244;Q           > 80 82 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000251F42D8280, 992 bytes long.
 Data: <&#208;v-&#244;Q    %-&#244;Q   > D0 76 2D F4 51 02 00 00 20 25 2D F4 51 02 00 00 
{103} normal block at 0x00000251F42D2400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x00000251F42CE750, 16 bytes long.
 Data: <pV-&#244;Q           > 70 56 2D F4 51 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x00000251F42D5670, 40 bytes long.
 Data: <P&#231;,&#244;Q    $-&#244;Q   > 50 E7 2C F4 51 02 00 00 00 24 2D F4 51 02 00 00 
{80} normal block at 0x00000251F42CEB60, 16 bytes long.
 Data: < &#234;/J&#247;           > 80 EA 2F 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000251F42CF470, 16 bytes long.
 Data: <@&#233;/J&#247;           > 40 E9 2F 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000251F42CF4C0, 16 bytes long.
 Data: <&#248;W,J&#247;           > F8 57 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000251F42CF1F0, 16 bytes long.
 Data: <&#216;W,J&#247;           > D8 57 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000251F42CEAC0, 16 bytes long.
 Data: <P ,J&#247;           > 50 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000251F42CF5B0, 16 bytes long.
 Data: <0 ,J&#247;           > 30 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000251F42CF560, 16 bytes long.
 Data: <&#224; ,J&#247;           > E0 02 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000251F42CEDE0, 16 bytes long.
 Data: <  ,J&#247;           > 10 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000251F42CF510, 16 bytes long.
 Data: <p ,J&#247;           > 70 04 2C 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000251F42CF600, 16 bytes long.
 Data: < &#192;*J&#247;           > 18 C0 2A 4A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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