Task 38663911

Name test_854-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND0561_0
Workunit 31607101
Created 24 Oct 2026, 22:56:09 UTC
Sent 24 Oct 2026, 22:56:11 UTC
Report deadline 29 Oct 2026, 22:56:11 UTC
Received 24 Oct 2026, 23:53:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645443
Run time 45 min 56 sec
CPU time 36 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,172.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.36 MB
Peak swap size 3.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:08:53 (41784): wrapper (7.9.26016): starting
00:08:53 (41784): 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
00:08:59 (41784): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:08:59 (41784): 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
00:52:13 (41784): C:/Windows/system32/cmd.exe exited; CPU time 2199.656250
00:52:13 (41784): 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: 71403405 bytes.
Dumping objects ->
{3835267} normal block at 0x0000022C427C1110, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x0000022C427C10A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000022C427C0A10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x0000022C427C0690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000022C427C1180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x0000022C44553A90, 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) : {3835179} normal block at 0x0000022C4279AB40, 8 bytes long.
 Data: <  &#189;B,   > 00 00 BD 42 2C 02 00 00 
{3833969} normal block at 0x0000022C4279A690, 8 bytes long.
 Data: <  ZD,   > 10 12 5A 44 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022C4278C2E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022C42786220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000022C4279A230, 16 bytes long.
 Data: <H&#225;yB,           > 48 E1 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022C4279A550, 16 bytes long.
 Data: < &#225;yB,           > 20 E1 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022C427966B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000022C4279A960, 16 bytes long.
 Data: <&#248;&#224;yB,           > F8 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022C4279AFA0, 16 bytes long.
 Data: <&#208;&#224;yB,           > D0 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C4279A820, 16 bytes long.
 Data: <&#168;&#224;yB,           > A8 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022C4279A050, 16 bytes long.
 Data: < &#224;yB,           > 80 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C42797F40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000022C4279AF00, 16 bytes long.
 Data: <X&#219;yB,           > 58 DB 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022C42796590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000022C4279AD70, 16 bytes long.
 Data: <0&#219;yB,           > 30 DB 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022C4279AD20, 16 bytes long.
 Data: < &#219;yB,           > 08 DB 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C4279A7D0, 16 bytes long.
 Data: <&#224;&#218;yB,           > E0 DA 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C4279ACD0, 16 bytes long.
 Data: <&#184;&#218;yB,           > B8 DA 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C4279AE60, 16 bytes long.
 Data: < &#218;yB,           > 90 DA 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C4279A4B0, 16 bytes long.
 Data: <h&#218;yB,           > 68 DA 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C427963B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000022C4279AC80, 16 bytes long.
 Data: <@&#218;yB,           > 40 DA 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022C4279DA40, 320 bytes long.
 Data: < &#172;yB,   &#176;cyB,   > 80 AC 79 42 2C 02 00 00 B0 63 79 42 2C 02 00 00 
{280} normal block at 0x0000022C4279AEB0, 16 bytes long.
 Data: <`&#224;yB,           > 60 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022C4279A0A0, 16 bytes long.
 Data: <8&#224;yB,           > 38 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C427967D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000022C4279A0F0, 16 bytes long.
 Data: < &#224;yB,           > 10 E0 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022C427964D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000022C4279AC30, 16 bytes long.
 Data: <X&#223;yB,           > 58 DF 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022C4279ABE0, 16 bytes long.
 Data: <0&#223;yB,           > 30 DF 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C4279AB90, 16 bytes long.
 Data: < &#223;yB,           > 08 DF 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C4279AE10, 16 bytes long.
 Data: <&#224;&#222;yB,           > E0 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C4279AA50, 16 bytes long.
 Data: <&#184;&#222;yB,           > B8 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C4279A370, 16 bytes long.
 Data: < &#222;yB,           > 90 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022C4279A730, 16 bytes long.
 Data: <  yB,           > 90 80 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C42798090, 40 bytes long.
 Data: <0&#167;yB,    :UD,   > 30 A7 79 42 2C 02 00 00 90 3A 55 44 2C 02 00 00 
{266} normal block at 0x0000022C4279AA00, 16 bytes long.
 Data: <p&#222;yB,           > 70 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022C4279A9B0, 16 bytes long.
 Data: <H&#222;yB,           > 48 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C42796A10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000022C4279A910, 16 bytes long.
 Data: < &#222;yB,           > 20 DE 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022C4279DE20, 992 bytes long.
 Data: < &#169;yB,    jyB,   > 10 A9 79 42 2C 02 00 00 10 6A 79 42 2C 02 00 00 
{98} normal block at 0x0000022C427962F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000022C4279A5F0, 16 bytes long.
 Data: <&#224; yB,           > E0 81 79 42 2C 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000022C427981E0, 40 bytes long.
 Data: <&#240;&#165;yB,   &#240;byB,   > F0 A5 79 42 2C 02 00 00 F0 62 79 42 2C 02 00 00 
{75} normal block at 0x0000022C4279A870, 16 bytes long.
 Data: < &#234;&#181;&#138;&#246;           > 80 EA B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022C4278DDE0, 16 bytes long.
 Data: <@&#233;&#181;&#138;&#246;           > 40 E9 B5 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022C4278DC00, 16 bytes long.
 Data: <&#248;W&#178;&#138;&#246;           > F8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022C4278DBB0, 16 bytes long.
 Data: <&#216;W&#178;&#138;&#246;           > D8 57 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022C4278DD40, 16 bytes long.
 Data: <P &#178;&#138;&#246;           > 50 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022C4278DB10, 16 bytes long.
 Data: <0 &#178;&#138;&#246;           > 30 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022C4278D930, 16 bytes long.
 Data: <&#224; &#178;&#138;&#246;           > E0 02 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022C4278DA70, 16 bytes long.
 Data: <  &#178;&#138;&#246;           > 10 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C4278D840, 16 bytes long.
 Data: <p &#178;&#138;&#246;           > 70 04 B2 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C4278D7F0, 16 bytes long.
 Data: < &#192;&#176;&#138;&#246;           > 18 C0 B0 8A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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