Task 38668504

Name test_173-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5816_0
Workunit 31611011
Created 25 Oct 2026, 11:57:23 UTC
Sent 25 Oct 2026, 11:57:27 UTC
Report deadline 30 Oct 2026, 11:57:27 UTC
Received 25 Oct 2026, 14:16:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652906
Run time 33 min 32 sec
CPU time 32 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.96 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:42:31 (63332): wrapper (7.9.26016): starting
09:42:31 (63332): 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
09:42:32 (63332): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:42:32 (63332): 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
10:15:57 (63332): C:/Windows/system32/cmd.exe exited; CPU time 1950.453125
10:15:57 (63332): 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: 44105545 bytes.
Dumping objects ->
{3835247} normal block at 0x000001BBE35F03B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001BBE35F07A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001BBE35F0FF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001BBE1528740, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001BBE1528660, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001BBE35A3050, 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) : {3835159} normal block at 0x000001BBE1520080, 8 bytes long.
 Data: <  5&#225;&#187;   > 00 00 35 E1 BB 01 00 00 
{3833953} normal block at 0x000001BBE1520940, 8 bytes long.
 Data: < &#226;_&#227;&#187;   > 20 E2 5F E3 BB 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001BBE152F530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BBE15162A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001BBE152D200, 16 bytes long.
 Data: <&#232;&#218;R&#225;&#187;           > E8 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BBE152D1B0, 16 bytes long.
 Data: <&#192;&#218;R&#225;&#187;           > C0 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BBE1527570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001BBE152D070, 16 bytes long.
 Data: < &#218;R&#225;&#187;           > 98 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BBE152D520, 16 bytes long.
 Data: <p&#218;R&#225;&#187;           > 70 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BBE152D430, 16 bytes long.
 Data: <H&#218;R&#225;&#187;           > 48 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BBE152D660, 16 bytes long.
 Data: < &#218;R&#225;&#187;           > 20 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BBE1528200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001BBE152D160, 16 bytes long.
 Data: <&#232;&#240;P&#225;&#187;           > E8 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BBE1527390, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001BBE152D110, 16 bytes long.
 Data: <&#192;&#240;P&#225;&#187;           > C0 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BBE152CA30, 16 bytes long.
 Data: < &#240;P&#225;&#187;           > 98 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BBE152D020, 16 bytes long.
 Data: <p&#240;P&#225;&#187;           > 70 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BBE152CFD0, 16 bytes long.
 Data: <H&#240;P&#225;&#187;           > 48 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BBE152CEE0, 16 bytes long.
 Data: < &#240;P&#225;&#187;           > 20 F0 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BBE152D2A0, 16 bytes long.
 Data: <&#248;&#239;P&#225;&#187;           > F8 EF 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BBE15272D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001BBE152C800, 16 bytes long.
 Data: <&#208;&#239;P&#225;&#187;           > D0 EF 50 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BBE150EFD0, 320 bytes long.
 Data: < &#200;R&#225;&#187;   &#208;rR&#225;&#187;   > 00 C8 52 E1 BB 01 00 00 D0 72 52 E1 BB 01 00 00 
{272} normal block at 0x000001BBE152CDA0, 16 bytes long.
 Data: < &#218;R&#225;&#187;           > 00 DA 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BBE152D3E0, 16 bytes long.
 Data: <&#216;&#217;R&#225;&#187;           > D8 D9 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BBE1527150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001BBE152CD00, 16 bytes long.
 Data: <&#176;&#217;R&#225;&#187;           > B0 D9 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BBE1527210, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001BBE152D610, 16 bytes long.
 Data: <&#248;&#216;R&#225;&#187;           > F8 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BBE152D5C0, 16 bytes long.
 Data: <&#208;&#216;R&#225;&#187;           > D0 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BBE152D4D0, 16 bytes long.
 Data: <&#168;&#216;R&#225;&#187;           > A8 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BBE152CAD0, 16 bytes long.
 Data: < &#216;R&#225;&#187;           > 80 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BBE152D570, 16 bytes long.
 Data: <X&#216;R&#225;&#187;           > 58 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BBE152D6B0, 16 bytes long.
 Data: <0&#216;R&#225;&#187;           > 30 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BBE152CE90, 16 bytes long.
 Data: <  R&#225;&#187;           > 20 81 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BBE1528120, 40 bytes long.
 Data: < &#206;R&#225;&#187;   P0Z&#227;&#187;   > 90 CE 52 E1 BB 01 00 00 50 30 5A E3 BB 01 00 00 
{258} normal block at 0x000001BBE152D0C0, 16 bytes long.
 Data: < &#216;R&#225;&#187;           > 10 D8 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BBE152D340, 16 bytes long.
 Data: <&#232;&#215;R&#225;&#187;           > E8 D7 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001BBE15271B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001BBE152D390, 16 bytes long.
 Data: <&#192;&#215;R&#225;&#187;           > C0 D7 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001BBE152D7C0, 992 bytes long.
 Data: < &#211;R&#225;&#187;   &#176;qR&#225;&#187;   > 90 D3 52 E1 BB 01 00 00 B0 71 52 E1 BB 01 00 00 
{90} normal block at 0x000001BBE15270F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001BBE151FE50, 16 bytes long.
 Data: <&#160;&#132;R&#225;&#187;           > A0 84 52 E1 BB 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001BBE15284A0, 40 bytes long.
 Data: <P&#254;Q&#225;&#187;   &#240;pR&#225;&#187;   > 50 FE 51 E1 BB 01 00 00 F0 70 52 E1 BB 01 00 00 
{67} normal block at 0x000001BBE151FE00, 16 bytes long.
 Data: < &#234;&#169;&#146;&#247;           > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BBE15208F0, 16 bytes long.
 Data: <@&#233;&#169;&#146;&#247;           > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BBE1520210, 16 bytes long.
 Data: <&#248;W&#166;&#146;&#247;           > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BBE1520B70, 16 bytes long.
 Data: <&#216;W&#166;&#146;&#247;           > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BBE151FDB0, 16 bytes long.
 Data: <P &#166;&#146;&#247;           > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BBE1520BC0, 16 bytes long.
 Data: <0 &#166;&#146;&#247;           > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BBE151FD60, 16 bytes long.
 Data: <&#224; &#166;&#146;&#247;           > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BBE15206C0, 16 bytes long.
 Data: <  &#166;&#146;&#247;           > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BBE15208A0, 16 bytes long.
 Data: <p &#166;&#146;&#247;           > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001BBE1520850, 16 bytes long.
 Data: < &#192;&#164;&#146;&#247;           > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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