Task 38687338

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7507_0
Workunit 31628731
Created 28 Oct 2026, 7:14:48 UTC
Sent 28 Oct 2026, 7:14:59 UTC
Report deadline 2 Nov 2026, 7:14:59 UTC
Received 28 Oct 2026, 8:26:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 20 sec
CPU time 32 min 13 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 710.98 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:51:47 (25892): wrapper (7.9.26016): starting
08:51:47 (25892): 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
08:51:49 (25892): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:51:49 (25892): 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\5\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\5\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
09:25:29 (25892): C:/Windows/system32/cmd.exe exited; CPU time 1933.843750
09:25:29 (25892): 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: 45164691 bytes.
Dumping objects ->
{3835307} normal block at 0x000001F515E66750, 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 0x000001F517B25460, 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 0x000001F517B25E20, 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 0x000001F517B26300, 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 0x000001F517B262A0, 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 0x000001F515E66980, 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 0x000001F517AEE9E0, 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 0x000001F515E36F80, 8 bytes long.
 Data: <  &#220; &#245;   > 00 00 DC 15 F5 01 00 00 
{3834570} normal block at 0x000001F517AEDF90, 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 0x000001F515E371B0, 8 bytes long.
 Data: <&#192;&#191;&#226; &#245;   > C0 BF E2 15 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F515E41A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F515E3D660, 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 0x000001F515E43510, 16 bytes long.
 Data: <XC&#228; &#245;           > 58 43 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F515E434C0, 16 bytes long.
 Data: <0C&#228; &#245;           > 30 43 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F515E3BB80, 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 0x000001F515E432E0, 16 bytes long.
 Data: < C&#228; &#245;           > 08 43 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F515E43290, 16 bytes long.
 Data: <&#224;B&#228; &#245;           > E0 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F515E43790, 16 bytes long.
 Data: <&#184;B&#228; &#245;           > B8 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F515E42ED0, 16 bytes long.
 Data: < B&#228; &#245;           > 90 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F515E3DB60, 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 0x000001F515E431F0, 16 bytes long.
 Data: <X)&#228; &#245;           > 58 29 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F515E3C6C0, 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 0x000001F515E431A0, 16 bytes long.
 Data: <0)&#228; &#245;           > 30 29 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F515E42B60, 16 bytes long.
 Data: < )&#228; &#245;           > 08 29 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F515E43470, 16 bytes long.
 Data: <&#224;(&#228; &#245;           > E0 28 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F515E42DE0, 16 bytes long.
 Data: <&#184;(&#228; &#245;           > B8 28 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F515E43240, 16 bytes long.
 Data: < (&#228; &#245;           > 90 28 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F515E43560, 16 bytes long.
 Data: <h(&#228; &#245;           > 68 28 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F515E3C120, 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 0x000001F515E43010, 16 bytes long.
 Data: <@(&#228; &#245;           > 40 28 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F515E42840, 320 bytes long.
 Data: < 0&#228; &#245;    &#193;&#227; &#245;   > 10 30 E4 15 F5 01 00 00 20 C1 E3 15 F5 01 00 00 
{274} normal block at 0x000001F515E42E30, 16 bytes long.
 Data: <pB&#228; &#245;           > 70 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F515E42D40, 16 bytes long.
 Data: <HB&#228; &#245;           > 48 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F515E3BE80, 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 0x000001F515E42B10, 16 bytes long.
 Data: < B&#228; &#245;           > 20 42 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F515E3C420, 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 0x000001F515E43150, 16 bytes long.
 Data: <hA&#228; &#245;           > 68 41 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F515E43060, 16 bytes long.
 Data: <@A&#228; &#245;           > 40 41 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F515E42CF0, 16 bytes long.
 Data: < A&#228; &#245;           > 18 41 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F515E43420, 16 bytes long.
 Data: <&#240;@&#228; &#245;           > F0 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F515E42AC0, 16 bytes long.
 Data: <&#200;@&#228; &#245;           > C8 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F515E42FC0, 16 bytes long.
 Data: <&#160;@&#228; &#245;           > A0 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F515E42D90, 16 bytes long.
 Data: < &#218;&#227; &#245;           > 80 DA E3 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F515E3DA80, 40 bytes long.
 Data: < -&#228; &#245;    i&#230; &#245;   > 90 2D E4 15 F5 01 00 00 80 69 E6 15 F5 01 00 00 
{260} normal block at 0x000001F515E439C0, 16 bytes long.
 Data: < @&#228; &#245;           > 80 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F515E43100, 16 bytes long.
 Data: <X@&#228; &#245;           > 58 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F515E3BA60, 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 0x000001F515E43970, 16 bytes long.
 Data: <0@&#228; &#245;           > 30 40 E4 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F515E44030, 992 bytes long.
 Data: <p9&#228; &#245;   `&#186;&#227; &#245;   > 70 39 E4 15 F5 01 00 00 60 BA E3 15 F5 01 00 00 
{92} normal block at 0x000001F515E3C060, 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 0x000001F515E372F0, 16 bytes long.
 Data: <0&#224;&#227; &#245;           > 30 E0 E3 15 F5 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F515E3E030, 40 bytes long.
 Data: <&#240;r&#227; &#245;   `&#192;&#227; &#245;   > F0 72 E3 15 F5 01 00 00 60 C0 E3 15 F5 01 00 00 
{69} normal block at 0x000001F515E37110, 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 0x000001F515E36D00, 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 0x000001F515E37480, 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 0x000001F515E374D0, 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 0x000001F515E36E90, 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 0x000001F515E37570, 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 0x000001F515E37980, 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 0x000001F515E37520, 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 0x000001F515E36E40, 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 0x000001F515E37660, 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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