Task 38666993

Name test_957-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2331_0
Workunit 31609703
Created 25 Oct 2026, 5:48:58 UTC
Sent 25 Oct 2026, 6:33:02 UTC
Report deadline 30 Oct 2026, 6:33:02 UTC
Received 25 Oct 2026, 8:00:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 58 sec
CPU time 27 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.96 MB
Peak swap size 5.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:32:30 (24136): wrapper (7.9.26016): starting
08:32:30 (24136): 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
08:32:31 (24136): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:32:31 (24136): 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 'C:\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 'C:\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
09:00:26 (24136): C:/Windows/system32/cmd.exe exited; CPU time 1655.390625
09:00:26 (24136): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23689545 bytes.
Dumping objects ->
{3835240} normal block at 0x00000233985B6A50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000233985B6970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x00000233985B6EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x00000233985B6DD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x00000233985B6C80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002339A21A8F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002339A230680, 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) : {3835151} normal block at 0x00000233985B0A80, 8 bytes long.
 Data: <  T 3   > 00 00 54 98 33 02 00 00 
{3834545} normal block at 0x000002339A230940, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000233985AFF90, 8 bytes long.
 Data: <p&#228; &#154;3   > 70 E4 12 9A 33 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000233985A1150, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002339859F330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000233985B7FD0, 16 bytes long.
 Data: <X&#132;[ 3           > 58 84 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000233985B7BC0, 16 bytes long.
 Data: <0&#132;[ 3           > 30 84 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000233985AE1B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000233985B7800, 16 bytes long.
 Data: < &#132;[ 3           > 08 84 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000233985B7C60, 16 bytes long.
 Data: <&#224;&#131;[ 3           > E0 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000233985B77B0, 16 bytes long.
 Data: <&#184;&#131;[ 3           > B8 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000233985B7710, 16 bytes long.
 Data: < &#131;[ 3           > 90 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000233985B6890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000233985B7E90, 16 bytes long.
 Data: < "Z 3           > 08 22 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000233985AE210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000233985B78F0, 16 bytes long.
 Data: <&#224;!Z 3           > E0 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000233985B76C0, 16 bytes long.
 Data: <&#184;!Z 3           > B8 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000233985B71C0, 16 bytes long.
 Data: < !Z 3           > 90 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000233985B7670, 16 bytes long.
 Data: <h!Z 3           > 68 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000233985B7350, 16 bytes long.
 Data: <@!Z 3           > 40 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000233985B7B70, 16 bytes long.
 Data: < !Z 3           > 18 21 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000233985ADF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000233985B7170, 16 bytes long.
 Data: <&#240; Z 3           > F0 20 5A 98 33 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000233985A20F0, 320 bytes long.
 Data: <pq[ 3   p&#223;Z 3   > 70 71 5B 98 33 02 00 00 70 DF 5A 98 33 02 00 00 
{276} normal block at 0x00000233985B8020, 16 bytes long.
 Data: <p&#131;[ 3           > 70 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000233985B7940, 16 bytes long.
 Data: <H&#131;[ 3           > 48 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000233985ADF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000233985B7A30, 16 bytes long.
 Data: < &#131;[ 3           > 20 83 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000233985AE690, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000233985B7B20, 16 bytes long.
 Data: <h&#130;[ 3           > 68 82 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000233985B7990, 16 bytes long.
 Data: <@&#130;[ 3           > 40 82 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000233985B7620, 16 bytes long.
 Data: < &#130;[ 3           > 18 82 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000233985B7DA0, 16 bytes long.
 Data: <&#240; [ 3           > F0 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000233985B78A0, 16 bytes long.
 Data: <&#200; [ 3           > C8 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000233985B7D50, 16 bytes long.
 Data: <&#160; [ 3           > A0 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000233985B7EE0, 16 bytes long.
 Data: <&#176;g[ 3           > B0 67 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000233985B67B0, 40 bytes long.
 Data: <&#224;~[ 3   &#240;&#168;!&#154;3   > E0 7E 5B 98 33 02 00 00 F0 A8 21 9A 33 02 00 00 
{262} normal block at 0x00000233985B74E0, 16 bytes long.
 Data: <  [ 3           > 80 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000233985B80C0, 16 bytes long.
 Data: <X [ 3           > 58 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000233985AE450, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000233985B73F0, 16 bytes long.
 Data: <0 [ 3           > 30 81 5B 98 33 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000233985B8130, 992 bytes long.
 Data: <&#240;s[ 3   P&#228;Z 3   > F0 73 5B 98 33 02 00 00 50 E4 5A 98 33 02 00 00 
{94} normal block at 0x00000233985AE390, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000233985B0210, 16 bytes long.
 Data: < &#205;Y 3           > 00 CD 59 98 33 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002339859CD00, 40 bytes long.
 Data: <  [ 3    &#227;Z 3   > 10 02 5B 98 33 02 00 00 90 E3 5A 98 33 02 00 00 
{71} normal block at 0x00000233985B0850, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000233985B0580, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000233985B0120, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000233985B0990, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000233985B00D0, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000233985B0440, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000233985B06C0, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000233985AFD60, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000233985B03F0, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000233985B0490, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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