Task 38677165

Name test_830-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2178_0
Workunit 31619047
Created 26 Oct 2026, 13:29:14 UTC
Sent 26 Oct 2026, 13:29:20 UTC
Report deadline 31 Oct 2026, 13:29:20 UTC
Received 26 Oct 2026, 14:12:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652822
Run time 33 min 39 sec
CPU time 33 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 777.30 MB
Peak swap size 24.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:14 (29692): wrapper (7.9.26016): starting
08:39:14 (29692): 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
08:39:16 (29692): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:39:16 (29692): 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
09:11:41 (29692): C:/Windows/system32/cmd.exe exited; CPU time 1997.515625
09:11:41 (29692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 36483187 bytes.
Dumping objects ->
{3835253} normal block at 0x0000019F90F34B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000019F90F349E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000019F90F34900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000019F90F34970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000019F90F347B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000019F92EAA2F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x0000019F92EBE670, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835164} normal block at 0x0000019F90F2F0E0, 8 bytes long.
 Data: <  i&#145;&#159;   > 00 00 69 91 9F 01 00 00 
{3834553} normal block at 0x0000019F92EBEB40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000019F90F2EC30, 8 bytes long.
 Data: <0&#221;&#235;&#146;&#159;   > 30 DD EB 92 9F 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000019F90F30C50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019F90F26D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000019F90F35E20, 16 bytes long.
 Data: < V&#243; &#159;           > 98 56 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019F90F35880, 16 bytes long.
 Data: <pV&#243; &#159;           > 70 56 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019F90F2FA60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000019F90F358D0, 16 bytes long.
 Data: <HV&#243; &#159;           > 48 56 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019F90F36690, 16 bytes long.
 Data: < V&#243; &#159;           > 20 56 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019F90F35E70, 16 bytes long.
 Data: <&#248;U&#243; &#159;           > F8 55 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019F90F36640, 16 bytes long.
 Data: <&#208;U&#243; &#159;           > D0 55 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019F90F34A50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000019F90F366E0, 16 bytes long.
 Data: <&#184;&#231;&#242; &#159;           > B8 E7 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019F90F30780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000019F90F35BF0, 16 bytes long.
 Data: < &#231;&#242; &#159;           > 90 E7 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019F90F35DD0, 16 bytes long.
 Data: <h&#231;&#242; &#159;           > 68 E7 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019F90F35C90, 16 bytes long.
 Data: <@&#231;&#242; &#159;           > 40 E7 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019F90F35D80, 16 bytes long.
 Data: < &#231;&#242; &#159;           > 18 E7 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019F90F35920, 16 bytes long.
 Data: <&#240;&#230;&#242; &#159;           > F0 E6 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019F90F35CE0, 16 bytes long.
 Data: <&#200;&#230;&#242; &#159;           > C8 E6 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019F90F30480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000019F90F35970, 16 bytes long.
 Data: <&#160;&#230;&#242; &#159;           > A0 E6 F2 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019F90F2E6A0, 320 bytes long.
 Data: <pY&#243; &#159;     &#243; &#159;   > 70 59 F3 90 9F 01 00 00 80 04 F3 90 9F 01 00 00 
{274} normal block at 0x0000019F90F35BA0, 16 bytes long.
 Data: <&#176;U&#243; &#159;           > B0 55 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019F90F35B50, 16 bytes long.
 Data: < U&#243; &#159;           > 88 55 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019F90F304E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000019F90F35D30, 16 bytes long.
 Data: <`U&#243; &#159;           > 60 55 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019F90F2F940, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000019F90F35A60, 16 bytes long.
 Data: <&#168;T&#243; &#159;           > A8 54 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019F90F35C40, 16 bytes long.
 Data: < T&#243; &#159;           > 80 54 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019F90F35EC0, 16 bytes long.
 Data: <XT&#243; &#159;           > 58 54 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019F90F36050, 16 bytes long.
 Data: <0T&#243; &#159;           > 30 54 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019F90F365F0, 16 bytes long.
 Data: < T&#243; &#159;           > 08 54 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019F90F2F3B0, 16 bytes long.
 Data: <&#224;S&#243; &#159;           > E0 53 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019F90F2F220, 16 bytes long.
 Data: < L&#243; &#159;           > 10 4C F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019F90F34C10, 40 bytes long.
 Data: < &#242;&#242; &#159;   &#240;&#162;&#234;&#146;&#159;   > 20 F2 F2 90 9F 01 00 00 F0 A2 EA 92 9F 01 00 00 
{260} normal block at 0x0000019F90F2F180, 16 bytes long.
 Data: <&#192;S&#243; &#159;           > C0 53 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019F90F2F090, 16 bytes long.
 Data: < S&#243; &#159;           > 98 53 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019F90F2FBE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000019F90F2ECD0, 16 bytes long.
 Data: <pS&#243; &#159;           > 70 53 F3 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019F90F35370, 992 bytes long.
 Data: <&#208;&#236;&#242; &#159;   &#224;&#251;&#242; &#159;   > D0 EC F2 90 9F 01 00 00 E0 FB F2 90 9F 01 00 00 
{92} normal block at 0x0000019F90F30000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000019F90F2ED20, 16 bytes long.
 Data: <@&#239;&#241; &#159;           > 40 EF F1 90 9F 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000019F90F1EF40, 40 bytes long.
 Data: < &#237;&#242; &#159;     &#243; &#159;   > 20 ED F2 90 9F 01 00 00 00 00 F3 90 9F 01 00 00 
{69} normal block at 0x0000019F90F2EF00, 16 bytes long.
 Data: < &#234;&#178;:&#247;           > 80 EA B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019F90F2EAA0, 16 bytes long.
 Data: <@&#233;&#178;:&#247;           > 40 E9 B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019F90F2F770, 16 bytes long.
 Data: <&#248;W&#175;:&#247;           > F8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019F90F2EEB0, 16 bytes long.
 Data: <&#216;W&#175;:&#247;           > D8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019F90F2F630, 16 bytes long.
 Data: <P &#175;:&#247;           > 50 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019F90F2EE60, 16 bytes long.
 Data: <0 &#175;:&#247;           > 30 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019F90F2EBE0, 16 bytes long.
 Data: <&#224; &#175;:&#247;           > E0 02 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019F90F2EF50, 16 bytes long.
 Data: <  &#175;:&#247;           > 10 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019F90F2F720, 16 bytes long.
 Data: <p &#175;:&#247;           > 70 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019F90F2F540, 16 bytes long.
 Data: < &#192;&#173;:&#247;           > 18 C0 AD 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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