Task 38697250

Name test_359-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND2870_0
Workunit 31637835
Created 1 Nov 2026, 11:28:52 UTC
Sent 1 Nov 2026, 11:28:57 UTC
Report deadline 6 Nov 2026, 11:28:57 UTC
Received 1 Nov 2026, 12:39:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 591223
Run time 1 hours 9 min 8 sec
CPU time 1 hours 3 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.25 MB
Peak swap size 6.76 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:32:33 (34444): wrapper (7.9.26016): starting
06:32:33 (34444): 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
06:32:37 (34444): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:32:37 (34444): 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 'D:\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 'D:\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
07:38:55 (34444): C:/Windows/system32/cmd.exe exited; CPU time 3800.203125
07:38:55 (34444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 88560229 bytes.
Dumping objects ->
{3835243} normal block at 0x000001C58B879C40, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001C58B879E70, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001C58B8798C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835210} normal block at 0x000001C58B87A180, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000001C58B87A650, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835168} normal block at 0x000001C58B7DF8F0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835157} normal block at 0x000001C589B4F8E0, 135 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) : {3835154} normal block at 0x000001C589AF0CF0, 8 bytes long.
 Data: <  &#251;&#137;&#197;   > 00 00 FB 89 C5 01 00 00 
{3834554} normal block at 0x000001C589B4FCF0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C589AF0750, 8 bytes long.
 Data: < &#222;&#173;&#137;&#197;   > 00 DE AD 89 C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C589AE5D10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C589AE7380, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C589AF8370, 16 bytes long.
 Data: <&#184;&#139;&#175;&#137;&#197;           > B8 8B AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C589AF8140, 16 bytes long.
 Data: < &#139;&#175;&#137;&#197;           > 90 8B AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C589AF1DC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C589AF8190, 16 bytes long.
 Data: <h&#139;&#175;&#137;&#197;           > 68 8B AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C589AF81E0, 16 bytes long.
 Data: <@&#139;&#175;&#137;&#197;           > 40 8B AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C589AF7B50, 16 bytes long.
 Data: < &#139;&#175;&#137;&#197;           > 18 8B AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C589AF8730, 16 bytes long.
 Data: <&#240;&#138;&#175;&#137;&#197;           > F0 8A AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C589AF6550, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C589AF7B00, 16 bytes long.
 Data: <X&#204;&#173;&#137;&#197;           > 58 CC AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C589AF1820, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C589AF80F0, 16 bytes long.
 Data: <0&#204;&#173;&#137;&#197;           > 30 CC AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C589AF85F0, 16 bytes long.
 Data: < &#204;&#173;&#137;&#197;           > 08 CC AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C589AF8690, 16 bytes long.
 Data: <&#224;&#203;&#173;&#137;&#197;           > E0 CB AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C589AF8550, 16 bytes long.
 Data: <&#184;&#203;&#173;&#137;&#197;           > B8 CB AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C589AF7CE0, 16 bytes long.
 Data: < &#203;&#173;&#137;&#197;           > 90 CB AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C589AF8460, 16 bytes long.
 Data: <h&#203;&#173;&#137;&#197;           > 68 CB AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C589AF1580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C589AF86E0, 16 bytes long.
 Data: <@&#203;&#173;&#137;&#197;           > 40 CB AD 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C589ADCB40, 320 bytes long.
 Data: <&#224;&#134;&#175;&#137;&#197;     &#175;&#137;&#197;   > E0 86 AF 89 C5 01 00 00 80 15 AF 89 C5 01 00 00 
{278} normal block at 0x000001C589AF8640, 16 bytes long.
 Data: <&#208;&#138;&#175;&#137;&#197;           > D0 8A AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C589AF8050, 16 bytes long.
 Data: <&#168;&#138;&#175;&#137;&#197;           > A8 8A AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C589AF0FE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C589AF7E70, 16 bytes long.
 Data: < &#138;&#175;&#137;&#197;           > 80 8A AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C589AF1640, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C589AF82D0, 16 bytes long.
 Data: <&#200;&#137;&#175;&#137;&#197;           > C8 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C589AF7DD0, 16 bytes long.
 Data: <&#160;&#137;&#175;&#137;&#197;           > A0 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C589AF87D0, 16 bytes long.
 Data: <x&#137;&#175;&#137;&#197;           > 78 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C589AF8230, 16 bytes long.
 Data: <P&#137;&#175;&#137;&#197;           > 50 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C589AF7AB0, 16 bytes long.
 Data: <(&#137;&#175;&#137;&#197;           > 28 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C589AF8280, 16 bytes long.
 Data: < &#137;&#175;&#137;&#197;           > 00 89 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C589AF7E20, 16 bytes long.
 Data: <&#224;d&#175;&#137;&#197;           > E0 64 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C589AF64E0, 40 bytes long.
 Data: < ~&#175;&#137;&#197;   &#240;&#248;}&#139;&#197;   > 20 7E AF 89 C5 01 00 00 F0 F8 7D 8B C5 01 00 00 
{264} normal block at 0x000001C589AF8320, 16 bytes long.
 Data: <&#224; &#175;&#137;&#197;           > E0 88 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C589AF7D80, 16 bytes long.
 Data: <&#184; &#175;&#137;&#197;           > B8 88 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C589AF1A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C589AF85A0, 16 bytes long.
 Data: <  &#175;&#137;&#197;           > 90 88 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C589AF8890, 992 bytes long.
 Data: <&#160;&#133;&#175;&#137;&#197;     &#175;&#137;&#197;   > A0 85 AF 89 C5 01 00 00 00 1A AF 89 C5 01 00 00 
{96} normal block at 0x000001C589AF15E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C589AF09D0, 16 bytes long.
 Data: < c&#175;&#137;&#197;           > 90 63 AF 89 C5 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C589AF6390, 40 bytes long.
 Data: <&#208;	&#175;&#137;&#197;   &#224; &#175;&#137;&#197;   > D0 09 AF 89 C5 01 00 00 E0 15 AF 89 C5 01 00 00 
{73} normal block at 0x000001C589AF0980, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 0E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C589AF0480, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 0E 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C589AF0A20, 16 bytes long.
 Data: <&#248;W i&#246;           > F8 57 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C589AF0B10, 16 bytes long.
 Data: <&#216;W i&#246;           > D8 57 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C589AF05C0, 16 bytes long.
 Data: <P  i&#246;           > 50 04 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C589AF0340, 16 bytes long.
 Data: <0  i&#246;           > 30 04 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C589AF0E30, 16 bytes long.
 Data: <&#224;  i&#246;           > E0 02 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C589AF0930, 16 bytes long.
 Data: <   i&#246;           > 10 04 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C589AF08E0, 16 bytes long.
 Data: <p  i&#246;           > 70 04 0B 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C589AF0CA0, 16 bytes long.
 Data: < &#192;	i&#246;           > 18 C0 09 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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