Task 38654487

Name test_239-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1424_0
Workunit 31598305
Created 24 Oct 2026, 7:23:03 UTC
Sent 24 Oct 2026, 7:23:06 UTC
Report deadline 29 Oct 2026, 7:23:06 UTC
Received 24 Oct 2026, 10:56:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 18 min 9 sec
CPU time 18 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.93 MB
Peak swap size 5.48 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:30:07 (11312): wrapper (7.9.26016): starting
12:30:07 (11312): 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
12:30:08 (11312): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:30:08 (11312): 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
12:55:26 (11312): C:/Windows/system32/cmd.exe exited; CPU time 1089.453125
12:55:26 (11312): 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: 33432935 bytes.
Dumping objects ->
{3835256} normal block at 0x00000167D824C8F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000167D6534730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x00000167D65346C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x00000167D6534960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000167D6534650, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x00000167D8297930, 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) : {3835168} normal block at 0x00000167D652F500, 8 bytes long.
 Data: <   &#214;g   > 00 00 9D D6 67 01 00 00 
{3833957} normal block at 0x00000167D6530270, 8 bytes long.
 Data: < K2&#216;g   > 80 4B 32 D8 67 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000167D6526190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000167D6527730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000167D6535400, 16 bytes long.
 Data: <8bS&#214;g           > 38 62 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000167D6535040, 16 bytes long.
 Data: < bS&#214;g           > 10 62 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000167D6530B40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000167D6535590, 16 bytes long.
 Data: <&#232;aS&#214;g           > E8 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000167D65353B0, 16 bytes long.
 Data: <&#192;aS&#214;g           > C0 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000167D6535A40, 16 bytes long.
 Data: < aS&#214;g           > 98 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000167D6534FF0, 16 bytes long.
 Data: <paS&#214;g           > 70 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000167D6534A40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000167D6534FA0, 16 bytes long.
 Data: <&#216; R&#214;g           > D8 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000167D6530DE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000167D65354A0, 16 bytes long.
 Data: <&#176; R&#214;g           > B0 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000167D6535EA0, 16 bytes long.
 Data: <  R&#214;g           > 88 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000167D65359F0, 16 bytes long.
 Data: <` R&#214;g           > 60 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000167D6535A90, 16 bytes long.
 Data: <8 R&#214;g           > 38 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000167D6535C70, 16 bytes long.
 Data: <  R&#214;g           > 10 9D 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000167D65358B0, 16 bytes long.
 Data: <&#232;&#156;R&#214;g           > E8 9C 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000167D6531080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000167D65356D0, 16 bytes long.
 Data: <&#192;&#156;R&#214;g           > C0 9C 52 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000167D6529CC0, 320 bytes long.
 Data: <&#208;VS&#214;g     S&#214;g   > D0 56 53 D6 67 01 00 00 80 10 53 D6 67 01 00 00 
{274} normal block at 0x00000167D6535090, 16 bytes long.
 Data: <PaS&#214;g           > 50 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000167D6535310, 16 bytes long.
 Data: <(aS&#214;g           > 28 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000167D65307E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000167D6535270, 16 bytes long.
 Data: < aS&#214;g           > 00 61 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000167D65304E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000167D6535220, 16 bytes long.
 Data: <H`S&#214;g           > 48 60 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000167D6535680, 16 bytes long.
 Data: < `S&#214;g           > 20 60 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000167D6535450, 16 bytes long.
 Data: <&#248;_S&#214;g           > F8 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000167D6535B30, 16 bytes long.
 Data: <&#208;_S&#214;g           > D0 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000167D6535180, 16 bytes long.
 Data: <&#168;_S&#214;g           > A8 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000167D6535E50, 16 bytes long.
 Data: < _S&#214;g           > 80 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000167D6535860, 16 bytes long.
 Data: <&#224;ES&#214;g           > E0 45 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000167D65345E0, 40 bytes long.
 Data: <`XS&#214;g   0y)&#216;g   > 60 58 53 D6 67 01 00 00 30 79 29 D8 67 01 00 00 
{260} normal block at 0x00000167D6535950, 16 bytes long.
 Data: <`_S&#214;g           > 60 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000167D65359A0, 16 bytes long.
 Data: <8_S&#214;g           > 38 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000167D6530C60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000167D6534F50, 16 bytes long.
 Data: < _S&#214;g           > 10 5F 53 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000167D6535F10, 992 bytes long.
 Data: <POS&#214;g   ` S&#214;g   > 50 4F 53 D6 67 01 00 00 60 0C 53 D6 67 01 00 00 
{92} normal block at 0x00000167D65311A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000167D652FCD0, 16 bytes long.
 Data: <&#224;&#210;Q&#214;g           > E0 D2 51 D6 67 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000167D651D2E0, 40 bytes long.
 Data: <&#208;&#252;R&#214;g   &#160; S&#214;g   > D0 FC 52 D6 67 01 00 00 A0 11 53 D6 67 01 00 00 
{69} normal block at 0x00000167D652FF00, 16 bytes long.
 Data: < &#234;0&#185;&#247;           > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000167D652F6E0, 16 bytes long.
 Data: <@&#233;0&#185;&#247;           > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000167D652FAA0, 16 bytes long.
 Data: <&#248;W-&#185;&#247;           > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000167D652F9B0, 16 bytes long.
 Data: <&#216;W-&#185;&#247;           > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000167D652F960, 16 bytes long.
 Data: <P -&#185;&#247;           > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000167D6530220, 16 bytes long.
 Data: <0 -&#185;&#247;           > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000167D652FD70, 16 bytes long.
 Data: <&#224; -&#185;&#247;           > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000167D65301D0, 16 bytes long.
 Data: <  -&#185;&#247;           > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000167D652F460, 16 bytes long.
 Data: <p -&#185;&#247;           > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000167D652FBE0, 16 bytes long.
 Data: < &#192;+&#185;&#247;           > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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