Task 38687775

Name test_239-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1424_1
Workunit 31629071
Created 28 Oct 2026, 9:43:14 UTC
Sent 28 Oct 2026, 9:43:21 UTC
Report deadline 2 Nov 2026, 9:43:21 UTC
Received 28 Oct 2026, 11:04:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648094
Run time 20 min 55 sec
CPU time 18 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.47 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:40:58 (4528): wrapper (7.9.26016): starting
05:40:58 (4528): 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
05:40:59 (4528): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:40:59 (4528): 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
06:01:19 (4528): C:/Windows/system32/cmd.exe exited; CPU time 1139.000000
06:01:19 (4528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14807379 bytes.
Dumping objects ->
{3835569} normal block at 0x000001D4B60E08B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001D4B60E0D10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001D4B60E0E60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001D4B60E0CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001D4B60E0D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001D4B61D71D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001D4B443B8C0, 235 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) : {3835480} normal block at 0x000001D4B444E3B0, 8 bytes long.
 Data: <  &#147;&#180;&#212;   > 00 00 93 B4 D4 01 00 00 
{3834703} normal block at 0x000001D4B443B790, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001D4B444EC20, 8 bytes long.
 Data: < :#&#182;&#212;   > 10 3A 23 B6 D4 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D4B4450830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D4B443DE20, 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 0x000001D4B4454D60, 16 bytes long.
 Data: <xWE&#180;&#212;           > 78 57 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D4B4454720, 16 bytes long.
 Data: <PWE&#180;&#212;           > 50 57 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D4B444ECE0, 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 0x000001D4B4454590, 16 bytes long.
 Data: <(WE&#180;&#212;           > 28 57 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D4B4454AE0, 16 bytes long.
 Data: < WE&#180;&#212;           > 00 57 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D4B44547C0, 16 bytes long.
 Data: <&#216;VE&#180;&#212;           > D8 56 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D4B4454180, 16 bytes long.
 Data: <&#176;VE&#180;&#212;           > B0 56 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D4B443C570, 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 0x000001D4B4454F90, 16 bytes long.
 Data: < &#180;C&#180;&#212;           > 08 B4 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D4B444EE00, 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 0x000001D4B4454F40, 16 bytes long.
 Data: <&#224;&#179;C&#180;&#212;           > E0 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D4B4454CC0, 16 bytes long.
 Data: <&#184;&#179;C&#180;&#212;           > B8 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D4B44546D0, 16 bytes long.
 Data: < &#179;C&#180;&#212;           > 90 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D4B4454130, 16 bytes long.
 Data: <h&#179;C&#180;&#212;           > 68 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D4B4454BD0, 16 bytes long.
 Data: <@&#179;C&#180;&#212;           > 40 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D4B4454B80, 16 bytes long.
 Data: < &#179;C&#180;&#212;           > 18 B3 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D4B444FA00, 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 0x000001D4B44542C0, 16 bytes long.
 Data: <&#240;&#178;C&#180;&#212;           > F0 B2 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D4B443B2F0, 320 bytes long.
 Data: <&#192;BE&#180;&#212;    &#250;D&#180;&#212;   > C0 42 45 B4 D4 01 00 00 00 FA 44 B4 D4 01 00 00 
{273} normal block at 0x000001D4B4454A40, 16 bytes long.
 Data: < VE&#180;&#212;           > 90 56 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D4B4454220, 16 bytes long.
 Data: <hVE&#180;&#212;           > 68 56 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D4B444F160, 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 0x000001D4B44549A0, 16 bytes long.
 Data: <@VE&#180;&#212;           > 40 56 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D4B444F3A0, 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 0x000001D4B44541D0, 16 bytes long.
 Data: < UE&#180;&#212;           > 88 55 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D4B4454B30, 16 bytes long.
 Data: <`UE&#180;&#212;           > 60 55 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D4B4454E50, 16 bytes long.
 Data: <8UE&#180;&#212;           > 38 55 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D4B4454680, 16 bytes long.
 Data: < UE&#180;&#212;           > 10 55 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D4B4454630, 16 bytes long.
 Data: <&#232;TE&#180;&#212;           > E8 54 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D4B44540E0, 16 bytes long.
 Data: <&#192;TE&#180;&#212;           > C0 54 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D4B4454E00, 16 bytes long.
 Data: <&#224;&#197;C&#180;&#212;           > E0 C5 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D4B443C5E0, 40 bytes long.
 Data: < NE&#180;&#212;   &#208;q &#182;&#212;   > 00 4E 45 B4 D4 01 00 00 D0 71 1D B6 D4 01 00 00 
{259} normal block at 0x000001D4B44545E0, 16 bytes long.
 Data: <&#160;TE&#180;&#212;           > A0 54 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D4B4454270, 16 bytes long.
 Data: <xTE&#180;&#212;           > 78 54 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D4B444F100, 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 0x000001D4B4454090, 16 bytes long.
 Data: <PTE&#180;&#212;           > 50 54 45 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D4B4455450, 992 bytes long.
 Data: < @E&#180;&#212;    &#241;D&#180;&#212;   > 90 40 45 B4 D4 01 00 00 00 F1 44 B4 D4 01 00 00 
{91} normal block at 0x000001D4B444FB80, 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 0x000001D4B444E8B0, 16 bytes long.
 Data: <0&#219;C&#180;&#212;           > 30 DB 43 B4 D4 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D4B443DB30, 40 bytes long.
 Data: <&#176;&#232;D&#180;&#212;    &#251;D&#180;&#212;   > B0 E8 44 B4 D4 01 00 00 80 FB 44 B4 D4 01 00 00 
{68} normal block at 0x000001D4B444E270, 16 bytes long.
 Data: < &#234; &#222;&#246;           > 80 EA 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D4B444E130, 16 bytes long.
 Data: <@&#233; &#222;&#246;           > 40 E9 0F DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D4B444DD20, 16 bytes long.
 Data: <&#248;W &#222;&#246;           > F8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D4B444E7C0, 16 bytes long.
 Data: <&#216;W &#222;&#246;           > D8 57 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D4B444E090, 16 bytes long.
 Data: <P  &#222;&#246;           > 50 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D4B444E770, 16 bytes long.
 Data: <0  &#222;&#246;           > 30 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D4B444E860, 16 bytes long.
 Data: <&#224;  &#222;&#246;           > E0 02 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D4B444E310, 16 bytes long.
 Data: <   &#222;&#246;           > 10 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D4B444EAE0, 16 bytes long.
 Data: <p  &#222;&#246;           > 70 04 0C DE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D4B444E9A0, 16 bytes long.
 Data: < &#192; &#222;&#246;           > 18 C0 0A DE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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