Task 38658958

Name test_140-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND6553_1
Workunit 31599106
Created 24 Oct 2026, 13:10:55 UTC
Sent 24 Oct 2026, 17:31:32 UTC
Report deadline 29 Oct 2026, 17:31:32 UTC
Received 25 Oct 2026, 8:34:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 41 min 8 sec
CPU time 41 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.65 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:29:31 (1976): wrapper (7.9.26016): starting
21:29:31 (1976): 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
21:29:33 (1976): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:29:33 (1976): 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
22:14:51 (1976): C:/Windows/system32/cmd.exe exited; CPU time 2468.421875
22:14:51 (1976): 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: 41110053 bytes.
Dumping objects ->
{3835181} normal block at 0x00000265C78515C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x00000265C7851CC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x00000265C7851630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x00000265C7851B70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x00000265C78516A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x00000265C943A680, 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) : {3835093} normal block at 0x00000265C784A660, 8 bytes long.
 Data: <   &#199;e   > 00 00 7F C7 65 02 00 00 
{3833945} normal block at 0x00000265C784AFC0, 8 bytes long.
 Data: <&#192;&#191;&#131;&#199;e   > C0 BF 83 C7 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000265C783EBA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000265C784D0B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000265C7852C30, 16 bytes long.
 Data: <&#184;4&#133;&#199;e           > B8 34 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000265C7852BE0, 16 bytes long.
 Data: < 4&#133;&#199;e           > 90 34 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000265C784D760, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000265C78520A0, 16 bytes long.
 Data: <h4&#133;&#199;e           > 68 34 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000265C7852B90, 16 bytes long.
 Data: <@4&#133;&#199;e           > 40 34 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000265C7852050, 16 bytes long.
 Data: < 4&#133;&#199;e           > 18 34 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000265C7852730, 16 bytes long.
 Data: <&#240;3&#133;&#199;e           > F0 33 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000265C7851A20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000265C7852690, 16 bytes long.
 Data: < &#229;&#131;&#199;e           > 88 E5 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000265C784E0C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000265C7852000, 16 bytes long.
 Data: <`&#229;&#131;&#199;e           > 60 E5 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000265C7851FB0, 16 bytes long.
 Data: <8&#229;&#131;&#199;e           > 38 E5 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000265C7852AF0, 16 bytes long.
 Data: < &#229;&#131;&#199;e           > 10 E5 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000265C78524B0, 16 bytes long.
 Data: <&#232;&#228;&#131;&#199;e           > E8 E4 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000265C7852A50, 16 bytes long.
 Data: <&#192;&#228;&#131;&#199;e           > C0 E4 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000265C78522D0, 16 bytes long.
 Data: < &#228;&#131;&#199;e           > 98 E4 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000265C784DEE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000265C7852500, 16 bytes long.
 Data: <p&#228;&#131;&#199;e           > 70 E4 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000265C783E470, 320 bytes long.
 Data: < %&#133;&#199;e   &#224;&#222;&#132;&#199;e   > 00 25 85 C7 65 02 00 00 E0 DE 84 C7 65 02 00 00 
{268} normal block at 0x00000265C7852460, 16 bytes long.
 Data: <&#208;3&#133;&#199;e           > D0 33 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000265C78523C0, 16 bytes long.
 Data: <&#168;3&#133;&#199;e           > A8 33 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000265C784E120, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000265C7852280, 16 bytes long.
 Data: < 3&#133;&#199;e           > 80 33 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000265C784D520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000265C78526E0, 16 bytes long.
 Data: <&#200;2&#133;&#199;e           > C8 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000265C7852230, 16 bytes long.
 Data: <&#160;2&#133;&#199;e           > A0 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000265C7852AA0, 16 bytes long.
 Data: <x2&#133;&#199;e           > 78 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000265C7851F60, 16 bytes long.
 Data: <P2&#133;&#199;e           > 50 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000265C7852A00, 16 bytes long.
 Data: <(2&#133;&#199;e           > 28 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000265C78521E0, 16 bytes long.
 Data: < 2&#133;&#199;e           > 00 32 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000265C7852140, 16 bytes long.
 Data: <&#224; &#133;&#199;e           > E0 1B 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000265C7851BE0, 40 bytes long.
 Data: <@!&#133;&#199;e    &#166;C&#201;e   > 40 21 85 C7 65 02 00 00 80 A6 43 C9 65 02 00 00 
{254} normal block at 0x00000265C7852410, 16 bytes long.
 Data: <&#224;1&#133;&#199;e           > E0 31 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000265C78520F0, 16 bytes long.
 Data: <&#184;1&#133;&#199;e           > B8 31 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000265C784DAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000265C7852640, 16 bytes long.
 Data: < 1&#133;&#199;e           > 90 31 85 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000265C7853190, 992 bytes long.
 Data: <@&&#133;&#199;e   &#192;&#218;&#132;&#199;e   > 40 26 85 C7 65 02 00 00 C0 DA 84 C7 65 02 00 00 
{86} normal block at 0x00000265C784DB20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000265C784AF20, 16 bytes long.
 Data: < &#171;&#131;&#199;e           > 90 AB 83 C7 65 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000265C783AB90, 40 bytes long.
 Data: < &#175;&#132;&#199;e    &#219;&#132;&#199;e   > 20 AF 84 C7 65 02 00 00 20 DB 84 C7 65 02 00 00 
{63} normal block at 0x00000265C784B0B0, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000265C784ADE0, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000265C784A4D0, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000265C784A480, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000265C784AE30, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000265C784A5C0, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000265C784A430, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000265C784A700, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000265C784B010, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000265C784AAC0, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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