Task 38673871

Name test_115-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9995_0
Workunit 31615931
Created 26 Oct 2026, 3:40:24 UTC
Sent 26 Oct 2026, 3:40:28 UTC
Report deadline 31 Oct 2026, 3:40:28 UTC
Received 26 Oct 2026, 6:26:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 25 sec
CPU time 46 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.24 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:39:24 (2628): wrapper (7.9.26016): starting
22:39:24 (2628): 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
22:39:26 (2628): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:39:26 (2628): 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 'E:\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 'E:\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
23:25:51 (2628): C:/Windows/system32/cmd.exe exited; CPU time 2803.718750
23:25:51 (2628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32345433 bytes.
Dumping objects ->
{3835223} normal block at 0x000001F9DDC71EB0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001F9DDC71DD0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001F9DDC71BA0, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x000001F9DDC71AC0, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x000001F9DDC71A50, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x000001F9DF823FF0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x000001F9DF750D50, 160 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) : {3835134} normal block at 0x000001F9DDC67EE0, 8 bytes long.
 Data: <  V&#223;&#249;   > 00 00 56 DF F9 01 00 00 
{3834539} normal block at 0x000001F9DF7508F0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001F9DDC67E90, 8 bytes long.
 Data: <P  &#223;&#249;   > 50 15 88 DF F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001F9DDC708D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F9DDC5B860, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001F9DDC72170, 16 bytes long.
 Data: <(G&#199;&#221;&#249;           > 28 47 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F9DDC720D0, 16 bytes long.
 Data: < G&#199;&#221;&#249;           > 00 47 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F9DDC6DD20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001F9DDC72EE0, 16 bytes long.
 Data: <&#216;F&#199;&#221;&#249;           > D8 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F9DDC72E40, 16 bytes long.
 Data: <&#176;F&#199;&#221;&#249;           > B0 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F9DDC72530, 16 bytes long.
 Data: < F&#199;&#221;&#249;           > 88 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F9DDC72DF0, 16 bytes long.
 Data: <`F&#199;&#221;&#249;           > 60 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F9DDC71C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001F9DDC72080, 16 bytes long.
 Data: <H]&#197;&#221;&#249;           > 48 5D C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F9DDC6E200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001F9DDC725D0, 16 bytes long.
 Data: < ]&#197;&#221;&#249;           > 20 5D C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9DDC72760, 16 bytes long.
 Data: <&#248;\&#197;&#221;&#249;           > F8 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F9DDC72DA0, 16 bytes long.
 Data: <&#208;\&#197;&#221;&#249;           > D0 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F9DDC72D00, 16 bytes long.
 Data: <&#168;\&#197;&#221;&#249;           > A8 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F9DDC72CB0, 16 bytes long.
 Data: < \&#197;&#221;&#249;           > 80 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F9DDC72E90, 16 bytes long.
 Data: <X\&#197;&#221;&#249;           > 58 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F9DDC6E080, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000001F9DDC72490, 16 bytes long.
 Data: <0\&#197;&#221;&#249;           > 30 5C C5 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F9DDC55C30, 320 bytes long.
 Data: < $&#199;&#221;&#249;    &#224;&#198;&#221;&#249;   > 90 24 C7 DD F9 01 00 00 80 E0 C6 DD F9 01 00 00 
{272} normal block at 0x000001F9DDC72940, 16 bytes long.
 Data: <@F&#199;&#221;&#249;           > 40 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F9DDC72C10, 16 bytes long.
 Data: < F&#199;&#221;&#249;           > 18 46 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F9DDC6E020, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001F9DDC72030, 16 bytes long.
 Data: <&#240;E&#199;&#221;&#249;           > F0 45 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9DDC6E380, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001F9DDC72F80, 16 bytes long.
 Data: <8E&#199;&#221;&#249;           > 38 45 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F9DDC72850, 16 bytes long.
 Data: < E&#199;&#221;&#249;           > 10 45 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9DDC72120, 16 bytes long.
 Data: <&#232;D&#199;&#221;&#249;           > E8 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F9DDC72BC0, 16 bytes long.
 Data: <&#192;D&#199;&#221;&#249;           > C0 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F9DDC72B70, 16 bytes long.
 Data: < D&#199;&#221;&#249;           > 98 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9DDC72C60, 16 bytes long.
 Data: <pD&#199;&#221;&#249;           > 70 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9DDC72800, 16 bytes long.
 Data: <  &#199;&#221;&#249;           > 90 18 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F9DDC71890, 40 bytes long.
 Data: < (&#199;&#221;&#249;   &#240;?&#130;&#223;&#249;   > 00 28 C7 DD F9 01 00 00 F0 3F 82 DF F9 01 00 00 
{258} normal block at 0x000001F9DDC72710, 16 bytes long.
 Data: <PD&#199;&#221;&#249;           > 50 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F9DDC72440, 16 bytes long.
 Data: <(D&#199;&#221;&#249;           > 28 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F9DDC6DFC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001F9DDC72AD0, 16 bytes long.
 Data: < D&#199;&#221;&#249;           > 00 44 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F9DDC74400, 992 bytes long.
 Data: <&#208;*&#199;&#221;&#249;   &#192;&#223;&#198;&#221;&#249;   > D0 2A C7 DD F9 01 00 00 C0 DF C6 DD F9 01 00 00 
{90} normal block at 0x000001F9DDC6DF00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001F9DDC677B0, 16 bytes long.
 Data: <  &#199;&#221;&#249;           > 20 18 C7 DD F9 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001F9DDC71820, 40 bytes long.
 Data: <&#176;w&#198;&#221;&#249;    &#223;&#198;&#221;&#249;   > B0 77 C6 DD F9 01 00 00 00 DF C6 DD F9 01 00 00 
{67} normal block at 0x000001F9DDC68160, 16 bytes long.
 Data: < &#234; P&#246;           > 80 EA 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9DDC67940, 16 bytes long.
 Data: <@&#233; P&#246;           > 40 E9 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9DDC67DF0, 16 bytes long.
 Data: <&#248;W&#138;P&#246;           > F8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9DDC67DA0, 16 bytes long.
 Data: <&#216;W&#138;P&#246;           > D8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9DDC67D00, 16 bytes long.
 Data: <P &#138;P&#246;           > 50 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9DDC678F0, 16 bytes long.
 Data: <0 &#138;P&#246;           > 30 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F9DDC67670, 16 bytes long.
 Data: <&#224; &#138;P&#246;           > E0 02 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F9DDC67BC0, 16 bytes long.
 Data: <  &#138;P&#246;           > 10 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F9DDC67B20, 16 bytes long.
 Data: <p &#138;P&#246;           > 70 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F9DDC67AD0, 16 bytes long.
 Data: < &#192; P&#246;           > 18 C0 88 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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