Task 38672537

Name test_433-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2747_1
Workunit 31614503
Created 25 Oct 2026, 23:43:09 UTC
Sent 25 Oct 2026, 23:43:14 UTC
Report deadline 30 Oct 2026, 23:43:14 UTC
Received 26 Oct 2026, 0:45:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 34 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.52 MB
Peak swap size 13.01 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:19:04 (3184): wrapper (7.9.26016): starting
18:19:04 (3184): 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
18:19:06 (3184): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:19:06 (3184): 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\2\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\2\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
18:44:36 (3184): C:/Windows/system32/cmd.exe exited; CPU time 1491.046875
18:44:36 (3184): 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: 9295977 bytes.
Dumping objects ->
{3835257} normal block at 0x0000021BEC924AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x0000021BEC924960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000021BEC9248F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x0000021BEC924730, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x0000021BEC924810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x0000021BEE5F4630, 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) : {3835169} normal block at 0x0000021BEC91EB90, 8 bytes long.
 Data: <  &#207;&#236;    > 00 00 CF EC 1B 02 00 00 
{3833955} normal block at 0x0000021BEC91E780, 8 bytes long.
 Data: < &#230;&#159;&#236;    > 20 E6 9F EC 1B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021BEC921330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021BEC9164B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021BEC925E30, 16 bytes long.
 Data: < V&#146;&#236;            > 08 56 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021BEC9258E0, 16 bytes long.
 Data: <&#224;U&#146;&#236;            > E0 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021BEC920340, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021BEC926560, 16 bytes long.
 Data: <&#184;U&#146;&#236;            > B8 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021BEC925CA0, 16 bytes long.
 Data: < U&#146;&#236;            > 90 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021BEC925CF0, 16 bytes long.
 Data: <hU&#146;&#236;            > 68 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021BEC9265B0, 16 bytes long.
 Data: <@U&#146;&#236;            > 40 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021BEC924C00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021BEC925FC0, 16 bytes long.
 Data: <H &#145;&#236;            > 48 8F 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021BEC920040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021BEC926600, 16 bytes long.
 Data: <  &#145;&#236;            > 20 8F 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021BEC926650, 16 bytes long.
 Data: <&#248;&#142;&#145;&#236;            > F8 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021BEC925C00, 16 bytes long.
 Data: <&#208;&#142;&#145;&#236;            > D0 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021BEC925F20, 16 bytes long.
 Data: <&#168;&#142;&#145;&#236;            > A8 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021BEC925E80, 16 bytes long.
 Data: < &#142;&#145;&#236;            > 80 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021BEC926380, 16 bytes long.
 Data: <X&#142;&#145;&#236;            > 58 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021BEC91F8C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021BEC925750, 16 bytes long.
 Data: <0&#142;&#145;&#236;            > 30 8E 91 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021BEC918E30, 320 bytes long.
 Data: <PW&#146;&#236;    &#192;&#248;&#145;&#236;    > 50 57 92 EC 1B 02 00 00 C0 F8 91 EC 1B 02 00 00 
{273} normal block at 0x0000021BEC925C50, 16 bytes long.
 Data: < U&#146;&#236;            > 20 55 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021BEC926510, 16 bytes long.
 Data: <&#248;T&#146;&#236;            > F8 54 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021BEC91F9E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021BEC926330, 16 bytes long.
 Data: <&#208;T&#146;&#236;            > D0 54 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021BEC91FCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021BEC925D90, 16 bytes long.
 Data: < T&#146;&#236;            > 18 54 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021BEC9266A0, 16 bytes long.
 Data: <&#240;S&#146;&#236;            > F0 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021BEC9261A0, 16 bytes long.
 Data: <&#200;S&#146;&#236;            > C8 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021BEC925DE0, 16 bytes long.
 Data: <&#160;S&#146;&#236;            > A0 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021BEC9261F0, 16 bytes long.
 Data: <xS&#146;&#236;            > 78 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021BEC91F2C0, 16 bytes long.
 Data: <PS&#146;&#236;            > 50 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021BEC91F130, 16 bytes long.
 Data: <&#224;E&#146;&#236;            > E0 45 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021BEC9245E0, 40 bytes long.
 Data: <0&#241;&#145;&#236;    0F_&#238;    > 30 F1 91 EC 1B 02 00 00 30 46 5F EE 1B 02 00 00 
{259} normal block at 0x0000021BEC91EE60, 16 bytes long.
 Data: <0S&#146;&#236;            > 30 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021BEC91E730, 16 bytes long.
 Data: < S&#146;&#236;            > 08 53 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021BEC91F800, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021BEC91EDC0, 16 bytes long.
 Data: <&#224;R&#146;&#236;            > E0 52 92 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021BEC9252E0, 992 bytes long.
 Data: <&#192;&#237;&#145;&#236;     &#248;&#145;&#236;    > C0 ED 91 EC 1B 02 00 00 00 F8 91 EC 1B 02 00 00 
{91} normal block at 0x0000021BEC920220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021BEC91F270, 16 bytes long.
 Data: < &#234; &#236;            > 00 EA 90 EC 1B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021BEC90EA00, 40 bytes long.
 Data: <p&#242;&#145;&#236;      &#146;&#236;    > 70 F2 91 EC 1B 02 00 00 20 02 92 EC 1B 02 00 00 
{68} normal block at 0x0000021BEC91EAA0, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021BEC91E870, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021BEC91E960, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021BEC91E550, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021BEC91EEB0, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021BEC91E6E0, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021BEC91F1D0, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021BEC91EB40, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021BEC91ECD0, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021BEC91EE10, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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