Task 38687165

Name test_80-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6853_0
Workunit 31628566
Created 28 Oct 2026, 6:21:48 UTC
Sent 28 Oct 2026, 6:21:52 UTC
Report deadline 2 Nov 2026, 6:21:52 UTC
Received 28 Oct 2026, 7:05:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 36 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 712.66 MB
Peak swap size 8.47 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
07:31:41 (17412): wrapper (7.9.26016): starting
07:31:41 (17412): 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
07:31:43 (17412): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:31:43 (17412): 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\4\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\4\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
08:05:24 (17412): C:/Windows/system32/cmd.exe exited; CPU time 1933.171875
08:05:24 (17412): 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: 44662425 bytes.
Dumping objects ->
{3835307} normal block at 0x000001DBBAF46760, 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 0x000001DBBCC05770, 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 0x000001DBBCC05FB0, 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 0x000001DBBCC05590, 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 0x000001DBBCC05A10, 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 0x000001DBBAF46530, 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 0x000001DBBCBCDED0, 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 0x000001DBBAF174D0, 8 bytes long.
 Data: <   &#188;&#219;   > 00 00 88 BC DB 01 00 00 
{3834570} normal block at 0x000001DBBCBCDE20, 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 0x000001DBBAF172F0, 8 bytes long.
 Data: <&#176;&#228;&#172;&#188;&#219;   > B0 E4 AC BC DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DBBAF21A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DBBAF1D660, 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 0x000001DBBAF22AC0, 16 bytes long.
 Data: <&#168;A&#242;&#186;&#219;           > A8 41 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DBBAF23A10, 16 bytes long.
 Data: < A&#242;&#186;&#219;           > 80 41 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DBBAF1C360, 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 0x000001DBBAF238D0, 16 bytes long.
 Data: <XA&#242;&#186;&#219;           > 58 41 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DBBAF22CF0, 16 bytes long.
 Data: <0A&#242;&#186;&#219;           > 30 41 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DBBAF22E80, 16 bytes long.
 Data: < A&#242;&#186;&#219;           > 08 41 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DBBAF23790, 16 bytes long.
 Data: <&#224;@&#242;&#186;&#219;           > E0 40 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DBBAF1DA80, 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 0x000001DBBAF23470, 16 bytes long.
 Data: <X)&#242;&#186;&#219;           > 58 29 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DBBAF1BA00, 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 0x000001DBBAF22C00, 16 bytes long.
 Data: <0)&#242;&#186;&#219;           > 30 29 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DBBAF22F70, 16 bytes long.
 Data: < )&#242;&#186;&#219;           > 08 29 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DBBAF23150, 16 bytes long.
 Data: <&#224;(&#242;&#186;&#219;           > E0 28 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DBBAF23330, 16 bytes long.
 Data: <&#184;(&#242;&#186;&#219;           > B8 28 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DBBAF23830, 16 bytes long.
 Data: < (&#242;&#186;&#219;           > 90 28 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DBBAF22B10, 16 bytes long.
 Data: <h(&#242;&#186;&#219;           > 68 28 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DBBAF1BF40, 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 0x000001DBBAF23510, 16 bytes long.
 Data: <@(&#242;&#186;&#219;           > 40 28 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DBBAF22840, 320 bytes long.
 Data: < 5&#242;&#186;&#219;   @&#191;&#241;&#186;&#219;   > 10 35 F2 BA DB 01 00 00 40 BF F1 BA DB 01 00 00 
{274} normal block at 0x000001DBBAF22DE0, 16 bytes long.
 Data: <&#192;@&#242;&#186;&#219;           > C0 40 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DBBAF23740, 16 bytes long.
 Data: < @&#242;&#186;&#219;           > 98 40 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DBBAF1BCA0, 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 0x000001DBBAF23880, 16 bytes long.
 Data: <p@&#242;&#186;&#219;           > 70 40 F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DBBAF1B9A0, 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 0x000001DBBAF236A0, 16 bytes long.
 Data: <&#184;?&#242;&#186;&#219;           > B8 3F F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DBBAF23650, 16 bytes long.
 Data: < ?&#242;&#186;&#219;           > 90 3F F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DBBAF232E0, 16 bytes long.
 Data: <h?&#242;&#186;&#219;           > 68 3F F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DBBAF22FC0, 16 bytes long.
 Data: <@?&#242;&#186;&#219;           > 40 3F F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DBBAF22BB0, 16 bytes long.
 Data: < ?&#242;&#186;&#219;           > 18 3F F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DBBAF23600, 16 bytes long.
 Data: <&#240;>&#242;&#186;&#219;           > F0 3E F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DBBAF23060, 16 bytes long.
 Data: <@&#220;&#241;&#186;&#219;           > 40 DC F1 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DBBAF1DC40, 40 bytes long.
 Data: <`0&#242;&#186;&#219;   0e&#244;&#186;&#219;   > 60 30 F2 BA DB 01 00 00 30 65 F4 BA DB 01 00 00 
{260} normal block at 0x000001DBBAF23380, 16 bytes long.
 Data: <&#208;>&#242;&#186;&#219;           > D0 3E F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DBBAF23970, 16 bytes long.
 Data: <&#168;>&#242;&#186;&#219;           > A8 3E F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DBBAF1C720, 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 0x000001DBBAF23290, 16 bytes long.
 Data: < >&#242;&#186;&#219;           > 80 3E F2 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DBBAF23E80, 992 bytes long.
 Data: < 2&#242;&#186;&#219;    &#199;&#241;&#186;&#219;   > 90 32 F2 BA DB 01 00 00 20 C7 F1 BA DB 01 00 00 
{92} normal block at 0x000001DBBAF1C0C0, 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 0x000001DBBAF16EE0, 16 bytes long.
 Data: <p&#222;&#241;&#186;&#219;           > 70 DE F1 BA DB 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DBBAF1DE70, 40 bytes long.
 Data: <&#224;n&#241;&#186;&#219;   &#192;&#192;&#241;&#186;&#219;   > E0 6E F1 BA DB 01 00 00 C0 C0 F1 BA DB 01 00 00 
{69} normal block at 0x000001DBBAF17250, 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 0x000001DBBAF17A20, 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 0x000001DBBAF17200, 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 0x000001DBBAF17A70, 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 0x000001DBBAF16E40, 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 0x000001DBBAF171B0, 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 0x000001DBBAF17160, 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 0x000001DBBAF16CB0, 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 0x000001DBBAF16DF0, 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 0x000001DBBAF17840, 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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