Task 38687650

Name test_731-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6957_0
Workunit 31629033
Created 28 Oct 2026, 8:57:57 UTC
Sent 28 Oct 2026, 8:58:07 UTC
Report deadline 2 Nov 2026, 8:58:07 UTC
Received 28 Oct 2026, 10:05:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 156955
Run time 35 min 1 sec
CPU time 32 min 1 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 712.23 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>
10:31:15 (10912): wrapper (7.9.26016): starting
10:31:15 (10912): 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
10:31:17 (10912): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:31:17 (10912): 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
11:04:37 (10912): C:/Windows/system32/cmd.exe exited; CPU time 1921.703125
11:04:37 (10912): 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: 43832343 bytes.
Dumping objects ->
{3835307} normal block at 0x0000025738FA66B0, 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 0x000002573ACA4AB0, 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 0x000002573ACA4510, 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 0x000002573ACA3DF0, 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 0x000002573ACA3670, 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 0x0000025738FA6AA0, 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 0x000002573AC6DAB0, 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 0x0000025738F77B40, 8 bytes long.
 Data: <  &#244;8W   > 00 00 F4 38 57 02 00 00 
{3834570} normal block at 0x000002573AC6DC10, 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 0x0000025738F77AA0, 8 bytes long.
 Data: < g&#210;:W   > 00 67 D2 3A 57 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025738F81AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025738F7D690, 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 0x0000025738F83450, 16 bytes long.
 Data: <&#216;A&#248;8W           > D8 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025738F832C0, 16 bytes long.
 Data: <&#176;A&#248;8W           > B0 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025738F7BFD0, 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 0x0000025738F83040, 16 bytes long.
 Data: < A&#248;8W           > 88 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025738F83130, 16 bytes long.
 Data: <`A&#248;8W           > 60 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025738F82FF0, 16 bytes long.
 Data: <8A&#248;8W           > 38 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025738F82F50, 16 bytes long.
 Data: < A&#248;8W           > 10 41 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025738F7DE30, 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 0x0000025738F83950, 16 bytes long.
 Data: < )&#248;8W           > 88 29 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025738F7BB50, 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 0x0000025738F82E10, 16 bytes long.
 Data: <`)&#248;8W           > 60 29 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025738F837C0, 16 bytes long.
 Data: <8)&#248;8W           > 38 29 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025738F83900, 16 bytes long.
 Data: < )&#248;8W           > 10 29 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025738F83810, 16 bytes long.
 Data: <&#232;(&#248;8W           > E8 28 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025738F82DC0, 16 bytes long.
 Data: <&#192;(&#248;8W           > C0 28 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025738F83400, 16 bytes long.
 Data: < (&#248;8W           > 98 28 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025738F7C270, 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 0x0000025738F83720, 16 bytes long.
 Data: <p(&#248;8W           > 70 28 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025738F82870, 320 bytes long.
 Data: < 7&#248;8W   p&#194;&#247;8W   > 20 37 F8 38 57 02 00 00 70 C2 F7 38 57 02 00 00 
{274} normal block at 0x0000025738F82F00, 16 bytes long.
 Data: <&#240;@&#248;8W           > F0 40 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025738F833B0, 16 bytes long.
 Data: <&#200;@&#248;8W           > C8 40 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025738F7C870, 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 0x0000025738F83180, 16 bytes long.
 Data: <&#160;@&#248;8W           > A0 40 F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025738F7C8D0, 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 0x0000025738F82D70, 16 bytes long.
 Data: <&#232;?&#248;8W           > E8 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025738F82FA0, 16 bytes long.
 Data: <&#192;?&#248;8W           > C0 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025738F83270, 16 bytes long.
 Data: < ?&#248;8W           > 98 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025738F838B0, 16 bytes long.
 Data: <p?&#248;8W           > 70 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025738F82D20, 16 bytes long.
 Data: <H?&#248;8W           > 48 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025738F83770, 16 bytes long.
 Data: < ?&#248;8W           > 20 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025738F835E0, 16 bytes long.
 Data: <&#176;&#218;&#247;8W           > B0 DA F7 38 57 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025738F7DAB0, 40 bytes long.
 Data: <&#224;5&#248;8W   &#160;j&#250;8W   > E0 35 F8 38 57 02 00 00 A0 6A FA 38 57 02 00 00 
{260} normal block at 0x0000025738F830E0, 16 bytes long.
 Data: < ?&#248;8W           > 00 3F F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025738F82E60, 16 bytes long.
 Data: <&#216;>&#248;8W           > D8 3E F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025738F7BF10, 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 0x0000025738F83590, 16 bytes long.
 Data: <&#176;>&#248;8W           > B0 3E F8 38 57 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025738F83EB0, 992 bytes long.
 Data: < 5&#248;8W    &#191;&#247;8W   > 90 35 F8 38 57 02 00 00 10 BF F7 38 57 02 00 00 
{92} normal block at 0x0000025738F7BD90, 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 0x0000025738F76C40, 16 bytes long.
 Data: <&#192;&#221;&#247;8W           > C0 DD F7 38 57 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000025738F7DDC0, 40 bytes long.
 Data: <@l&#247;8W     &#247;8W   > 40 6C F7 38 57 02 00 00 90 BD F7 38 57 02 00 00 
{69} normal block at 0x0000025738F77280, 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 0x0000025738F771E0, 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 0x0000025738F77500, 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 0x0000025738F76F60, 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 0x0000025738F77910, 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 0x0000025738F76F10, 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 0x0000025738F76EC0, 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 0x0000025738F778C0, 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 0x0000025738F77190, 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 0x0000025738F770A0, 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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