Task 38656720

Name test_682-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND5687_1
Workunit 31600358
Created 24 Oct 2026, 10:56:19 UTC
Sent 24 Oct 2026, 10:58:55 UTC
Report deadline 29 Oct 2026, 10:58:55 UTC
Received 24 Oct 2026, 11:21:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 18 min 27 sec
CPU time 17 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.29 MB
Peak swap size 13.05 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
13:03:36 (23424): wrapper (7.9.26016): starting
13:03:36 (23424): 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
13:03:37 (23424): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:03:37 (23424): 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:\DataBOINC\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:\DataBOINC\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
13:21:15 (23424): C:/Windows/system32/cmd.exe exited; CPU time 1030.937500
13:21:15 (23424): 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: 20651761 bytes.
Dumping objects ->
{3835610} normal block at 0x000001E02A4B5460, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835599} normal block at 0x000001E02C2C1AE0, 32 bytes long.
 Data: <HOME=C:\DataBOIN> 48 4F 4D 45 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835588} normal block at 0x000001E02C2C1A80, 32 bytes long.
 Data: <TMP=C:\DataBOINC> 54 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 43 
{3835577} normal block at 0x000001E02C2C2260, 32 bytes long.
 Data: <TEMP=C:\DataBOIN> 54 45 4D 50 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835566} normal block at 0x000001E02C2C2AA0, 32 bytes long.
 Data: <TMPDIR=C:\DataBO> 54 4D 50 44 49 52 3D 43 3A 5C 44 61 74 61 42 4F 
{3835535} normal block at 0x000001E02A4B53F0, 48 bytes long.
 Data: <PATH=C:\DataBOIN> 50 41 54 48 3D 43 3A 5C 44 61 74 61 42 4F 49 4E 
{3835524} normal block at 0x000001E02C28EE20, 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) : {3835521} normal block at 0x000001E02A4ADAD0, 8 bytes long.
 Data: <  F*&#224;   > 00 00 46 2A E0 01 00 00 
{3834715} normal block at 0x000001E02C28F920, 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 0x000001E02A4AD850, 8 bytes long.
 Data: <P&#228;X*&#224;   > 50 E4 58 2A E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E02A4B1DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E02A4A6920, 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 0x000001E02A4B5EB0, 16 bytes long.
 Data: <hoK*&#224;           > 68 6F 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E02A4B6B30, 16 bytes long.
 Data: <@oK*&#224;           > 40 6F 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E02A4AFE20, 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 0x000001E02A4B64A0, 16 bytes long.
 Data: < oK*&#224;           > 18 6F 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E02A4B5D70, 16 bytes long.
 Data: <&#240;nK*&#224;           > F0 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E02A4B6040, 16 bytes long.
 Data: <&#200;nK*&#224;           > C8 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E02A4B6220, 16 bytes long.
 Data: <&#160;nK*&#224;           > A0 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E02A4B5700, 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 0x000001E02A4B5CD0, 16 bytes long.
 Data: < &#247;I*&#224;           > 98 F7 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E02A4AF6A0, 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 0x000001E02A4B6AE0, 16 bytes long.
 Data: <p&#247;I*&#224;           > 70 F7 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E02A4B5E60, 16 bytes long.
 Data: <H&#247;I*&#224;           > 48 F7 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E02A4B66D0, 16 bytes long.
 Data: < &#247;I*&#224;           > 20 F7 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E02A4B6810, 16 bytes long.
 Data: <&#248;&#246;I*&#224;           > F8 F6 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E02A4B5E10, 16 bytes long.
 Data: <&#208;&#246;I*&#224;           > D0 F6 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E02A4B61D0, 16 bytes long.
 Data: <&#168;&#246;I*&#224;           > A8 F6 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E02A4B0360, 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 0x000001E02A4B5C80, 16 bytes long.
 Data: < &#246;I*&#224;           > 80 F6 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E02A49F680, 320 bytes long.
 Data: < \K*&#224;   ` K*&#224;   > 80 5C 4B 2A E0 01 00 00 60 03 4B 2A E0 01 00 00 
{276} normal block at 0x000001E02A4B6630, 16 bytes long.
 Data: < nK*&#224;           > 80 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E02A4B6770, 16 bytes long.
 Data: <XnK*&#224;           > 58 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E02A4AFDC0, 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 0x000001E02A4B67C0, 16 bytes long.
 Data: <0nK*&#224;           > 30 6E 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E02A4AFB80, 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 0x000001E02A4B6A90, 16 bytes long.
 Data: <xmK*&#224;           > 78 6D 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E02A4B6450, 16 bytes long.
 Data: <PmK*&#224;           > 50 6D 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E02A4B6180, 16 bytes long.
 Data: <(mK*&#224;           > 28 6D 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E02A4B6900, 16 bytes long.
 Data: < mK*&#224;           > 00 6D 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E02A4B6130, 16 bytes long.
 Data: <&#216;lK*&#224;           > D8 6C 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E02A4B6A40, 16 bytes long.
 Data: <&#176;lK*&#224;           > B0 6C 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E02A4B5D20, 16 bytes long.
 Data: <0RK*&#224;           > 30 52 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E02A4B5230, 40 bytes long.
 Data: < ]K*&#224;   &#240;SK*&#224;   > 20 5D 4B 2A E0 01 00 00 F0 53 4B 2A E0 01 00 00 
{262} normal block at 0x000001E02A4B5DC0, 16 bytes long.
 Data: < lK*&#224;           > 90 6C 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E02A4B69A0, 16 bytes long.
 Data: <hlK*&#224;           > 68 6C 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E02A4AFD00, 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 0x000001E02A4B60E0, 16 bytes long.
 Data: <@lK*&#224;           > 40 6C 4B 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E02A4B6C40, 992 bytes long.
 Data: <&#224;`K*&#224;    &#253;J*&#224;   > E0 60 4B 2A E0 01 00 00 00 FD 4A 2A E0 01 00 00 
{94} normal block at 0x000001E02A4AFAC0, 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 0x000001E02A4AE340, 16 bytes long.
 Data: <0&#234;I*&#224;           > 30 EA 49 2A E0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001E02A49EA30, 40 bytes long.
 Data: <@&#227;J*&#224;   &#192;&#250;J*&#224;   > 40 E3 4A 2A E0 01 00 00 C0 FA 4A 2A E0 01 00 00 
{71} normal block at 0x000001E02A4ADCB0, 16 bytes long.
 Data: < &#234;2&#167;&#247;           > 80 EA 32 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E02A4AE250, 16 bytes long.
 Data: <@&#233;2&#167;&#247;           > 40 E9 32 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E02A4AD760, 16 bytes long.
 Data: <&#248;W/&#167;&#247;           > F8 57 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E02A4AE520, 16 bytes long.
 Data: <&#216;W/&#167;&#247;           > D8 57 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E02A4AE610, 16 bytes long.
 Data: <P /&#167;&#247;           > 50 04 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E02A4AD710, 16 bytes long.
 Data: <0 /&#167;&#247;           > 30 04 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E02A4AD940, 16 bytes long.
 Data: <&#224; /&#167;&#247;           > E0 02 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E02A4AD990, 16 bytes long.
 Data: <  /&#167;&#247;           > 10 04 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E02A4AE430, 16 bytes long.
 Data: <p /&#167;&#247;           > 70 04 2F A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E02A4ADF80, 16 bytes long.
 Data: < &#192;-&#167;&#247;           > 18 C0 2D A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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