Task 38679460

Name test_428-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8580_0
Workunit 31621234
Created 26 Oct 2026, 20:38:42 UTC
Sent 26 Oct 2026, 20:38:46 UTC
Report deadline 31 Oct 2026, 20:38:46 UTC
Received 26 Oct 2026, 21:14:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 605313
Run time 24 min 25 sec
CPU time 22 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.86 MB
Peak swap size 9.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:56:23 (21260): wrapper (7.9.26016): starting
15:56:23 (21260): 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
15:56:24 (21260): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:56:24 (21260): 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
16:19:56 (21260): C:/Windows/system32/cmd.exe exited; CPU time 1336.890625
16:19:56 (21260): 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: 28472997 bytes.
Dumping objects ->
{3835221} normal block at 0x000001CFEB379B20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000001CFEB37A220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001CFEB37A3E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x000001CFEB379DC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000001CFEB37A840, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x000001CFED198BD0, 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) : {3835133} normal block at 0x000001CFEB34AFE0, 8 bytes long.
 Data: <  0&#235;&#207;   > 00 00 30 EB CF 01 00 00 
{3833975} normal block at 0x000001CFEB34B170, 8 bytes long.
 Data: <0&#188;7&#235;&#207;   > 30 BC 37 EB CF 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001CFEB352C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001CFEB346F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001CFEB357370, 16 bytes long.
 Data: <&#232;x5&#235;&#207;           > E8 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001CFEB356B00, 16 bytes long.
 Data: <&#192;x5&#235;&#207;           > C0 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001CFEB34F670, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001CFEB356EC0, 16 bytes long.
 Data: < x5&#235;&#207;           > 98 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001CFEB357140, 16 bytes long.
 Data: <px5&#235;&#207;           > 70 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001CFEB356AB0, 16 bytes long.
 Data: <Hx5&#235;&#207;           > 48 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001CFEB356E70, 16 bytes long.
 Data: < x5&#235;&#207;           > 20 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001CFEB350160, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001CFEB357280, 16 bytes long.
 Data: < &#253;3&#235;&#207;           > 18 FD 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CFEB34F610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001CFEB356BA0, 16 bytes long.
 Data: <&#240;&#252;3&#235;&#207;           > F0 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CFEB356A60, 16 bytes long.
 Data: <&#200;&#252;3&#235;&#207;           > C8 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CFEB356A10, 16 bytes long.
 Data: <&#160;&#252;3&#235;&#207;           > A0 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CFEB357050, 16 bytes long.
 Data: <x&#252;3&#235;&#207;           > 78 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CFEB356DD0, 16 bytes long.
 Data: <P&#252;3&#235;&#207;           > 50 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CFEB3569C0, 16 bytes long.
 Data: <(&#252;3&#235;&#207;           > 28 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CFEB34F490, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001CFEB356CE0, 16 bytes long.
 Data: < &#252;3&#235;&#207;           > 00 FC 33 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CFEB33FC00, 320 bytes long.
 Data: <&#224;l5&#235;&#207;    &#244;4&#235;&#207;   > E0 6C 35 EB CF 01 00 00 90 F4 34 EB CF 01 00 00 
{283} normal block at 0x000001CFEB356D80, 16 bytes long.
 Data: < x5&#235;&#207;           > 00 78 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CFEB356D30, 16 bytes long.
 Data: <&#216;w5&#235;&#207;           > D8 77 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CFEB34F070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001CFEB3566F0, 16 bytes long.
 Data: <&#176;w5&#235;&#207;           > B0 77 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CFEB34F6D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001CFEB357190, 16 bytes long.
 Data: <&#248;v5&#235;&#207;           > F8 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CFEB356880, 16 bytes long.
 Data: <&#208;v5&#235;&#207;           > D0 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CFEB3566A0, 16 bytes long.
 Data: <&#168;v5&#235;&#207;           > A8 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CFEB357000, 16 bytes long.
 Data: < v5&#235;&#207;           > 80 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CFEB356970, 16 bytes long.
 Data: <Xv5&#235;&#207;           > 58 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CFEB356790, 16 bytes long.
 Data: <0v5&#235;&#207;           > 30 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CFEB356C40, 16 bytes long.
 Data: <&#224; 5&#235;&#207;           > E0 04 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CFEB3504E0, 40 bytes long.
 Data: <@l5&#235;&#207;   &#208;&#139; &#237;&#207;   > 40 6C 35 EB CF 01 00 00 D0 8B 19 ED CF 01 00 00 
{269} normal block at 0x000001CFEB356740, 16 bytes long.
 Data: < v5&#235;&#207;           > 10 76 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CFEB357410, 16 bytes long.
 Data: <&#232;u5&#235;&#207;           > E8 75 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CFEB34F910, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001CFEB357460, 16 bytes long.
 Data: <&#192;u5&#235;&#207;           > C0 75 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CFEB3575C0, 992 bytes long.
 Data: <`t5&#235;&#207;    &#249;4&#235;&#207;   > 60 74 35 EB CF 01 00 00 10 F9 34 EB CF 01 00 00 
{101} normal block at 0x000001CFEB34F370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001CFEB34B030, 16 bytes long.
 Data: <  5&#235;&#207;           > 90 03 35 EB CF 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001CFEB350390, 40 bytes long.
 Data: <0&#176;4&#235;&#207;   p&#243;4&#235;&#207;   > 30 B0 34 EB CF 01 00 00 70 F3 34 EB CF 01 00 00 
{78} normal block at 0x000001CFEB34B260, 16 bytes long.
 Data: < &#234;&#178;&#243;&#247;           > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001CFEB34B5D0, 16 bytes long.
 Data: <@&#233;&#178;&#243;&#247;           > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001CFEB34B800, 16 bytes long.
 Data: <&#248;W&#175;&#243;&#247;           > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001CFEB34AEF0, 16 bytes long.
 Data: <&#216;W&#175;&#243;&#247;           > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001CFEB34B1C0, 16 bytes long.
 Data: <P &#175;&#243;&#247;           > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001CFEB34BBC0, 16 bytes long.
 Data: <0 &#175;&#243;&#247;           > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001CFEB34AEA0, 16 bytes long.
 Data: <&#224; &#175;&#243;&#247;           > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001CFEB34AE50, 16 bytes long.
 Data: <  &#175;&#243;&#247;           > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001CFEB34B120, 16 bytes long.
 Data: <p &#175;&#243;&#247;           > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001CFEB34B350, 16 bytes long.
 Data: < &#192;&#173;&#243;&#247;           > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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