Task 38687899

Name test_133-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5151_0
Workunit 31629270
Created 28 Oct 2026, 10:26:20 UTC
Sent 28 Oct 2026, 10:26:28 UTC
Report deadline 2 Nov 2026, 10:26:28 UTC
Received 28 Oct 2026, 11:24:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 34 min 2 sec
CPU time 31 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,242.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.32 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:51:33 (34480): wrapper (7.9.26016): starting
11:51:33 (34480): 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
11:51:35 (34480): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:51:35 (34480): 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:\Boinc_data\slots\6\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:\Boinc_data\slots\6\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
12:24:02 (34480): C:/Windows/system32/cmd.exe exited; CPU time 1868.281250
12:24:02 (34480): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 42467301 bytes.
Dumping objects ->
{3835307} normal block at 0x000001CFDBE97090, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835296} normal block at 0x000001CFDDB948D0, 32 bytes long.
 Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835285} normal block at 0x000001CFDDB93E50, 32 bytes long.
 Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74 
{3835274} normal block at 0x000001CFDDB94090, 32 bytes long.
 Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835263} normal block at 0x000001CFDDB93EB0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F 
{3835232} normal block at 0x000001CFDBE96B50, 48 bytes long.
 Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 
{3835221} normal block at 0x000001CFDDB5DC10, 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) : {3835218} normal block at 0x000001CFDBE67340, 8 bytes long.
 Data: <  &#222;&#219;&#207;   > 00 00 DE DB CF 01 00 00 
{3834570} normal block at 0x000001CFDDB5E240, 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 0x000001CFDBE67610, 8 bytes long.
 Data: <&#176;&#228;&#165;&#221;&#207;   > B0 E4 A5 DD CF 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001CFDBE71A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CFDBE6D660, 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 0x000001CFDBE73880, 16 bytes long.
 Data: <&#168;A&#231;&#219;&#207;           > A8 41 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CFDBE72D40, 16 bytes long.
 Data: < A&#231;&#219;&#207;           > 80 41 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CFDBE6BB80, 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 0x000001CFDBE736F0, 16 bytes long.
 Data: <XA&#231;&#219;&#207;           > 58 41 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CFDBE738D0, 16 bytes long.
 Data: <0A&#231;&#219;&#207;           > 30 41 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CFDBE72ED0, 16 bytes long.
 Data: < A&#231;&#219;&#207;           > 08 41 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CFDBE72E80, 16 bytes long.
 Data: <&#224;@&#231;&#219;&#207;           > E0 40 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CFDBE6D9A0, 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 0x000001CFDBE73830, 16 bytes long.
 Data: <X)&#231;&#219;&#207;           > 58 29 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CFDBE6C8A0, 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 0x000001CFDBE73650, 16 bytes long.
 Data: <0)&#231;&#219;&#207;           > 30 29 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CFDBE737E0, 16 bytes long.
 Data: < )&#231;&#219;&#207;           > 08 29 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CFDBE735B0, 16 bytes long.
 Data: <&#224;(&#231;&#219;&#207;           > E0 28 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CFDBE73560, 16 bytes long.
 Data: <&#184;(&#231;&#219;&#207;           > B8 28 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CFDBE73790, 16 bytes long.
 Data: < (&#231;&#219;&#207;           > 90 28 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CFDBE73420, 16 bytes long.
 Data: <h(&#231;&#219;&#207;           > 68 28 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CFDBE6C120, 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 0x000001CFDBE733D0, 16 bytes long.
 Data: <@(&#231;&#219;&#207;           > 40 28 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CFDBE72840, 320 bytes long.
 Data: <&#208;3&#231;&#219;&#207;    &#193;&#230;&#219;&#207;   > D0 33 E7 DB CF 01 00 00 20 C1 E6 DB CF 01 00 00 
{274} normal block at 0x000001CFDBE73600, 16 bytes long.
 Data: <&#192;@&#231;&#219;&#207;           > C0 40 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CFDBE73510, 16 bytes long.
 Data: < @&#231;&#219;&#207;           > 98 40 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CFDBE6BB20, 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 0x000001CFDBE734C0, 16 bytes long.
 Data: <p@&#231;&#219;&#207;           > 70 40 E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CFDBE6C840, 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 0x000001CFDBE73380, 16 bytes long.
 Data: <&#184;?&#231;&#219;&#207;           > B8 3F E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CFDBE736A0, 16 bytes long.
 Data: < ?&#231;&#219;&#207;           > 90 3F E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CFDBE72CA0, 16 bytes long.
 Data: <h?&#231;&#219;&#207;           > 68 3F E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CFDBE73330, 16 bytes long.
 Data: <@?&#231;&#219;&#207;           > 40 3F E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CFDBE732E0, 16 bytes long.
 Data: < ?&#231;&#219;&#207;           > 18 3F E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CFDBE72C00, 16 bytes long.
 Data: <&#240;>&#231;&#219;&#207;           > F0 3E E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CFDBE72E30, 16 bytes long.
 Data: <&#224;&#222;&#230;&#219;&#207;           > E0 DE E6 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CFDBE6DEE0, 40 bytes long.
 Data: <0.&#231;&#219;&#207;   Pk&#233;&#219;&#207;   > 30 2E E7 DB CF 01 00 00 50 6B E9 DB CF 01 00 00 
{260} normal block at 0x000001CFDBE73A10, 16 bytes long.
 Data: <&#208;>&#231;&#219;&#207;           > D0 3E E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CFDBE731A0, 16 bytes long.
 Data: <&#168;>&#231;&#219;&#207;           > A8 3E E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CFDBE6C7E0, 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 0x000001CFDBE72CF0, 16 bytes long.
 Data: < >&#231;&#219;&#207;           > 80 3E E7 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CFDBE73E80, 992 bytes long.
 Data: <&#240;,&#231;&#219;&#207;   &#224;&#199;&#230;&#219;&#207;   > F0 2C E7 DB CF 01 00 00 E0 C7 E6 DB CF 01 00 00 
{92} normal block at 0x000001CFDBE6C060, 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 0x000001CFDBE67750, 16 bytes long.
 Data: < &#222;&#230;&#219;&#207;           > 00 DE E6 DB CF 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001CFDBE6DE00, 40 bytes long.
 Data: <Pw&#230;&#219;&#207;   `&#192;&#230;&#219;&#207;   > 50 77 E6 DB CF 01 00 00 60 C0 E6 DB CF 01 00 00 
{69} normal block at 0x000001CFDBE66DF0, 16 bytes long.
 Data: < &#234;S&#130;&#246;           > 80 EA 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CFDBE66D00, 16 bytes long.
 Data: <@&#233;S&#130;&#246;           > 40 E9 53 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CFDBE67890, 16 bytes long.
 Data: <&#248;WP&#130;&#246;           > F8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CFDBE67200, 16 bytes long.
 Data: <&#216;WP&#130;&#246;           > D8 57 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CFDBE671B0, 16 bytes long.
 Data: <P P&#130;&#246;           > 50 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CFDBE67840, 16 bytes long.
 Data: <0 P&#130;&#246;           > 30 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CFDBE67160, 16 bytes long.
 Data: <&#224; P&#130;&#246;           > E0 02 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CFDBE66E40, 16 bytes long.
 Data: <  P&#130;&#246;           > 10 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CFDBE67250, 16 bytes long.
 Data: <p P&#130;&#246;           > 70 04 50 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CFDBE67020, 16 bytes long.
 Data: < &#192;N&#130;&#246;           > 18 C0 4E 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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