Task 38645266

Name test_9-GPUGRID_TEST_ATM_20261023-0-1-RND3236_0
Workunit 31590236
Created 23 Oct 2026, 14:12:50 UTC
Sent 23 Oct 2026, 14:13:05 UTC
Report deadline 28 Oct 2026, 14:13:05 UTC
Received 23 Oct 2026, 14:37:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647482
Run time 22 min 49 sec
CPU time 20 min 55 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 37,850.67 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.66 MB
Peak swap size 6.94 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:15:02 (7448): wrapper (7.9.26016): starting
16:15:02 (7448): 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
16:15:05 (7448): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:15:05 (7448): 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
16:36:40 (7448): C:/Windows/system32/cmd.exe exited; CPU time 1255.078125
16:36:40 (7448): 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: 20154817 bytes.
Dumping objects ->
{3835197} normal block at 0x000001BCF8E0C570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001BCF8E0C490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001BCF8E0CD50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001BCF8E0C420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001BCF8E0C730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001BCFAA4D7C0, 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) : {3835109} normal block at 0x000001BCF8DE1020, 8 bytes long.
 Data: <  &#182;&#250;&#188;   > 00 00 B6 FA BC 01 00 00 
{3833961} normal block at 0x000001BCF8DE1980, 8 bytes long.
 Data: <P&#235;&#235;&#248;&#188;   > 50 EB EB F8 BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BCF8DD6150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001BCF8DD6760, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001BCF8DE9A40, 16 bytes long.
 Data: <&#232;&#161;&#222;&#248;&#188;           > E8 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BCF8DE9400, 16 bytes long.
 Data: <&#192;&#161;&#222;&#248;&#188;           > C0 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BCF8DE4F50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001BCF8DE9C70, 16 bytes long.
 Data: < &#161;&#222;&#248;&#188;           > 98 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BCF8DE90E0, 16 bytes long.
 Data: <p&#161;&#222;&#248;&#188;           > 70 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BCF8DE9B80, 16 bytes long.
 Data: <H&#161;&#222;&#248;&#188;           > 48 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BCF8DE9860, 16 bytes long.
 Data: < &#161;&#222;&#248;&#188;           > 20 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BCF8DE3180, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001BCF8DE9A90, 16 bytes long.
 Data: <&#216;B&#221;&#248;&#188;           > D8 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BCF8DE49B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001BCF8DE9040, 16 bytes long.
 Data: <&#176;B&#221;&#248;&#188;           > B0 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BCF8DE94F0, 16 bytes long.
 Data: < B&#221;&#248;&#188;           > 88 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BCF8DE98B0, 16 bytes long.
 Data: <`B&#221;&#248;&#188;           > 60 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BCF8DE9B30, 16 bytes long.
 Data: <8B&#221;&#248;&#188;           > 38 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BCF8DE9130, 16 bytes long.
 Data: < B&#221;&#248;&#188;           > 10 42 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BCF8DE9AE0, 16 bytes long.
 Data: <&#232;A&#221;&#248;&#188;           > E8 41 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BCF8DE46B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001BCF8DE93B0, 16 bytes long.
 Data: <&#192;A&#221;&#248;&#188;           > C0 41 DD F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BCF8DD41C0, 320 bytes long.
 Data: <&#176;&#147;&#222;&#248;&#188;   &#176;F&#222;&#248;&#188;   > B0 93 DE F8 BC 01 00 00 B0 46 DE F8 BC 01 00 00 
{276} normal block at 0x000001BCF8DE9220, 16 bytes long.
 Data: < &#161;&#222;&#248;&#188;           > 00 A1 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BCF8DE9810, 16 bytes long.
 Data: <&#216;&#160;&#222;&#248;&#188;           > D8 A0 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BCF8DE4830, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001BCF8DE8FA0, 16 bytes long.
 Data: <&#176;&#160;&#222;&#248;&#188;           > B0 A0 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BCF8DE4E90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001BCF8DE91D0, 16 bytes long.
 Data: <&#248;&#159;&#222;&#248;&#188;           > F8 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BCF8DE9590, 16 bytes long.
 Data: <&#208;&#159;&#222;&#248;&#188;           > D0 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BCF8DE97C0, 16 bytes long.
 Data: <&#168;&#159;&#222;&#248;&#188;           > A8 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BCF8DE8FF0, 16 bytes long.
 Data: < &#159;&#222;&#248;&#188;           > 80 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BCF8DE99F0, 16 bytes long.
 Data: <X&#159;&#222;&#248;&#188;           > 58 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BCF8DE99A0, 16 bytes long.
 Data: <0&#159;&#222;&#248;&#188;           > 30 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BCF8DE9720, 16 bytes long.
 Data: <&#192;6&#222;&#248;&#188;           > C0 36 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BCF8DE36C0, 40 bytes long.
 Data: < &#151;&#222;&#248;&#188;   &#192;&#215;&#164;&#250;&#188;   > 20 97 DE F8 BC 01 00 00 C0 D7 A4 FA BC 01 00 00 
{262} normal block at 0x000001BCF8DE9310, 16 bytes long.
 Data: < &#159;&#222;&#248;&#188;           > 10 9F DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BCF8DE9950, 16 bytes long.
 Data: <&#232;&#158;&#222;&#248;&#188;           > E8 9E DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BCF8DE53D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001BCF8DE9090, 16 bytes long.
 Data: <&#192;&#158;&#222;&#248;&#188;           > C0 9E DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BCF8DE9EC0, 992 bytes long.
 Data: <  &#222;&#248;&#188;   &#208;S&#222;&#248;&#188;   > 90 90 DE F8 BC 01 00 00 D0 53 DE F8 BC 01 00 00 
{94} normal block at 0x000001BCF8DE4590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001BCF8DE1C00, 16 bytes long.
 Data: <P6&#222;&#248;&#188;           > 50 36 DE F8 BC 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001BCF8DE3650, 40 bytes long.
 Data: <  &#222;&#248;&#188;    E&#222;&#248;&#188;   > 00 1C DE F8 BC 01 00 00 90 45 DE F8 BC 01 00 00 
{71} normal block at 0x000001BCF8DE1BB0, 16 bytes long.
 Data: < &#234;&#178;W&#247;           > 80 EA B2 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BCF8DE0E40, 16 bytes long.
 Data: <@&#233;&#178;W&#247;           > 40 E9 B2 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BCF8DE1A20, 16 bytes long.
 Data: <&#248;W&#175;W&#247;           > F8 57 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BCF8DE13E0, 16 bytes long.
 Data: <&#216;W&#175;W&#247;           > D8 57 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BCF8DE1160, 16 bytes long.
 Data: <P &#175;W&#247;           > 50 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BCF8DE1200, 16 bytes long.
 Data: <0 &#175;W&#247;           > 30 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BCF8DE1390, 16 bytes long.
 Data: <&#224; &#175;W&#247;           > E0 02 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BCF8DE1840, 16 bytes long.
 Data: <  &#175;W&#247;           > 10 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BCF8DE12A0, 16 bytes long.
 Data: <p &#175;W&#247;           > 70 04 AF 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BCF8DE1660, 16 bytes long.
 Data: < &#192;&#173;W&#247;           > 18 C0 AD 57 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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