Task 38670994

Name test_872-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3636_0
Workunit 31613217
Created 25 Oct 2026, 19:11:45 UTC
Sent 25 Oct 2026, 19:11:49 UTC
Report deadline 30 Oct 2026, 19:11:49 UTC
Received 25 Oct 2026, 19:46:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610797
Run time 17 min 19 sec
CPU time 15 min 53 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 761.03 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>
20:29:56 (26360): wrapper (7.9.26016): starting
20:29:56 (26360): 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
20:29:58 (26360): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:29:58 (26360): 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\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 'C:\DataBOINC\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
20:46:33 (26360): C:/Windows/system32/cmd.exe exited; CPU time 953.109375
20:46:33 (26360): 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: 16616575 bytes.
Dumping objects ->
{3835610} normal block at 0x0000017A3C7B5380, 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 0x0000017A3E4C5BC0, 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 0x0000017A3E4C63A0, 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 0x0000017A3E4C71E0, 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 0x0000017A3E4C6BE0, 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 0x0000017A3C7B51C0, 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 0x0000017A3E48ED70, 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 0x0000017A3C7ADFD0, 8 bytes long.
 Data: <  &#197;<z   > 00 00 C5 3C 7A 01 00 00 
{3834715} normal block at 0x0000017A3E48F2F0, 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 0x0000017A3C7ADB70, 8 bytes long.
 Data: <P&#228; <z   > 50 E4 88 3C 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017A3C7B1B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017A3C7A6B60, 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 0x0000017A3C7B6810, 16 bytes long.
 Data: <ho{<z           > 68 6F 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017A3C7B5D20, 16 bytes long.
 Data: <@o{<z           > 40 6F 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017A3C7AFA60, 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 0x0000017A3C7B5FF0, 16 bytes long.
 Data: < o{<z           > 18 6F 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017A3C7B5EB0, 16 bytes long.
 Data: <&#240;n{<z           > F0 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017A3C7B6450, 16 bytes long.
 Data: <&#200;n{<z           > C8 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017A3C7B6590, 16 bytes long.
 Data: <&#160;n{<z           > A0 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017A3C7B5460, 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 0x0000017A3C7B67C0, 16 bytes long.
 Data: < &#247;y<z           > 98 F7 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017A3C7AFE20, 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 0x0000017A3C7B5CD0, 16 bytes long.
 Data: <p&#247;y<z           > 70 F7 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017A3C7B6BD0, 16 bytes long.
 Data: <H&#247;y<z           > 48 F7 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017A3C7B6B80, 16 bytes long.
 Data: < &#247;y<z           > 20 F7 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017A3C7B6360, 16 bytes long.
 Data: <&#248;&#246;y<z           > F8 F6 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017A3C7B63B0, 16 bytes long.
 Data: <&#208;&#246;y<z           > D0 F6 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017A3C7B62C0, 16 bytes long.
 Data: <&#168;&#246;y<z           > A8 F6 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017A3C7B02A0, 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 0x0000017A3C7B61D0, 16 bytes long.
 Data: < &#246;y<z           > 80 F6 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017A3C79F680, 320 bytes long.
 Data: <&#208;a{<z   &#160; {<z   > D0 61 7B 3C 7A 01 00 00 A0 02 7B 3C 7A 01 00 00 
{276} normal block at 0x0000017A3C7B6B30, 16 bytes long.
 Data: < n{<z           > 80 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017A3C7B5E60, 16 bytes long.
 Data: <Xn{<z           > 58 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017A3C7AFB20, 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 0x0000017A3C7B6770, 16 bytes long.
 Data: <0n{<z           > 30 6E 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017A3C7AFD00, 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 0x0000017A3C7B64F0, 16 bytes long.
 Data: <xm{<z           > 78 6D 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A3C7B6900, 16 bytes long.
 Data: <Pm{<z           > 50 6D 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017A3C7B6220, 16 bytes long.
 Data: <(m{<z           > 28 6D 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A3C7B6720, 16 bytes long.
 Data: < m{<z           > 00 6D 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017A3C7B6630, 16 bytes long.
 Data: <&#216;l{<z           > D8 6C 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017A3C7B6130, 16 bytes long.
 Data: <&#176;l{<z           > B0 6C 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017A3C7B6AE0, 16 bytes long.
 Data: <&#224;P{<z           > E0 50 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017A3C7B50E0, 40 bytes long.
 Data: <&#224;j{<z   &#192;Q{<z   > E0 6A 7B 3C 7A 01 00 00 C0 51 7B 3C 7A 01 00 00 
{262} normal block at 0x0000017A3C7B69F0, 16 bytes long.
 Data: < l{<z           > 90 6C 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017A3C7B6400, 16 bytes long.
 Data: <hl{<z           > 68 6C 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017A3C7B03C0, 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 0x0000017A3C7B5C80, 16 bytes long.
 Data: <@l{<z           > 40 6C 7B 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017A3C7B6C40, 992 bytes long.
 Data: < \{<z   &#192; {<z   > 80 5C 7B 3C 7A 01 00 00 C0 03 7B 3C 7A 01 00 00 
{94} normal block at 0x0000017A3C7AFAC0, 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 0x0000017A3C7ADC10, 16 bytes long.
 Data: <0&#234;y<z           > 30 EA 79 3C 7A 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000017A3C79EA30, 40 bytes long.
 Data: < &#220;z<z   &#192;&#250;z<z   > 10 DC 7A 3C 7A 01 00 00 C0 FA 7A 3C 7A 01 00 00 
{71} normal block at 0x0000017A3C7AD800, 16 bytes long.
 Data: < &#234;>7&#246;           > 80 EA 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017A3C7AE520, 16 bytes long.
 Data: <@&#233;>7&#246;           > 40 E9 3E 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017A3C7ADC60, 16 bytes long.
 Data: <&#248;W;7&#246;           > F8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017A3C7AD9E0, 16 bytes long.
 Data: <&#216;W;7&#246;           > D8 57 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017A3C7AD940, 16 bytes long.
 Data: <P ;7&#246;           > 50 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017A3C7ADE40, 16 bytes long.
 Data: <0 ;7&#246;           > 30 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017A3C7ADBC0, 16 bytes long.
 Data: <&#224; ;7&#246;           > E0 02 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017A3C7AE480, 16 bytes long.
 Data: <  ;7&#246;           > 10 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017A3C7ADAD0, 16 bytes long.
 Data: <p ;7&#246;           > 70 04 3B 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017A3C7AE5C0, 16 bytes long.
 Data: < &#192;97&#246;           > 18 C0 39 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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