Task 38650995

Name test_115-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND9995_0
Workunit 31595450
Created 24 Oct 2026, 0:41:50 UTC
Sent 24 Oct 2026, 0:58:12 UTC
Report deadline 29 Oct 2026, 0:58:12 UTC
Received 24 Oct 2026, 1:35:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 642350
Run time 27 min 21 sec
CPU time 25 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,408.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.05 MB
Peak swap size 9.89 GB
Peak disk usage 3.70 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:09:20 (372000): wrapper (7.9.26016): starting
20:09:20 (372000): 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
20:09:21 (372000): Library/usr/bin/tar.exe exited; CPU time 0.046875
20:09:21 (372000): 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
20:35:24 (372000): C:/Windows/system32/cmd.exe exited; CPU time 1527.734375
20:35:24 (372000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 34525859 bytes.
Dumping objects ->
{3835248} normal block at 0x0000015F93DBF3C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x0000015F93DBEA90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000015F93DBF2E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x0000015F93DBF430, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000015F93DBF580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x0000015F93DBBA00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835160} normal block at 0x0000015F91FAC1B0, 8 bytes long.
 Data: <  T&#146;_   > 00 00 54 92 5F 01 00 00 
{3833959} normal block at 0x0000015F91FABE90, 8 bytes long.
 Data: <p&#210;&#219;&#147;_   > 70 D2 DB 93 5F 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015F91F8B120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015F91F8C2A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000015F91FABDF0, 16 bytes long.
 Data: <X&#201;&#250;&#145;_           > 58 C9 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015F91FAB9E0, 16 bytes long.
 Data: <0&#201;&#250;&#145;_           > 30 C9 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015F91FAE150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000015F91FABDA0, 16 bytes long.
 Data: < &#201;&#250;&#145;_           > 08 C9 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015F91FAB940, 16 bytes long.
 Data: <&#224;&#200;&#250;&#145;_           > E0 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015F91FAB490, 16 bytes long.
 Data: <&#184;&#200;&#250;&#145;_           > B8 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015F91FABD50, 16 bytes long.
 Data: < &#200;&#250;&#145;_           > 90 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015F91FA4E60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000015F91FABD00, 16 bytes long.
 Data: < n&#250;&#145;_           > 98 6E FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015F91FAE4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000015F91FAC110, 16 bytes long.
 Data: <pn&#250;&#145;_           > 70 6E FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015F91FAC250, 16 bytes long.
 Data: <Hn&#250;&#145;_           > 48 6E FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015F91FABC60, 16 bytes long.
 Data: < n&#250;&#145;_           > 20 6E FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015F91FABCB0, 16 bytes long.
 Data: <&#248;m&#250;&#145;_           > F8 6D FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015F91FAB710, 16 bytes long.
 Data: <&#208;m&#250;&#145;_           > D0 6D FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015F91FABBC0, 16 bytes long.
 Data: <&#168;m&#250;&#145;_           > A8 6D FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015F91FADD30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000015F91FAB4E0, 16 bytes long.
 Data: < m&#250;&#145;_           > 80 6D FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015F91FA6D80, 320 bytes long.
 Data: <&#224;&#180;&#250;&#145;_   0&#221;&#250;&#145;_   > E0 B4 FA 91 5F 01 00 00 30 DD FA 91 5F 01 00 00 
{275} normal block at 0x0000015F91FAC070, 16 bytes long.
 Data: <p&#200;&#250;&#145;_           > 70 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015F91FABB70, 16 bytes long.
 Data: <H&#200;&#250;&#145;_           > 48 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015F91FAE450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000015F91FABF80, 16 bytes long.
 Data: < &#200;&#250;&#145;_           > 20 C8 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015F91FAEA50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000015F91FAB8A0, 16 bytes long.
 Data: <h&#199;&#250;&#145;_           > 68 C7 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015F91FAC390, 16 bytes long.
 Data: <@&#199;&#250;&#145;_           > 40 C7 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015F91FAC200, 16 bytes long.
 Data: < &#199;&#250;&#145;_           > 18 C7 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015F91FAB850, 16 bytes long.
 Data: <&#240;&#198;&#250;&#145;_           > F0 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015F91FABC10, 16 bytes long.
 Data: <&#200;&#198;&#250;&#145;_           > C8 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015F91FABAD0, 16 bytes long.
 Data: <&#160;&#198;&#250;&#145;_           > A0 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015F91FABA80, 16 bytes long.
 Data: <&#240;M&#250;&#145;_           > F0 4D FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015F91FA4DF0, 40 bytes long.
 Data: < &#186;&#250;&#145;_    &#186;&#219;&#147;_   > 80 BA FA 91 5F 01 00 00 00 BA DB 93 5F 01 00 00 
{261} normal block at 0x0000015F91FAB670, 16 bytes long.
 Data: < &#198;&#250;&#145;_           > 80 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015F91FABFD0, 16 bytes long.
 Data: <X&#198;&#250;&#145;_           > 58 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015F91F93260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000015F91FAB6C0, 16 bytes long.
 Data: <0&#198;&#250;&#145;_           > 30 C6 FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015F91FAC630, 992 bytes long.
 Data: <&#192;&#182;&#250;&#145;_   `2&#249;&#145;_   > C0 B6 FA 91 5F 01 00 00 60 32 F9 91 5F 01 00 00 
{93} normal block at 0x0000015F91F93A40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000015F91F98F90, 16 bytes long.
 Data: <&#224;J&#250;&#145;_           > E0 4A FA 91 5F 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000015F91FA4AE0, 40 bytes long.
 Data: <  &#249;&#145;_   @:&#249;&#145;_   > 90 8F F9 91 5F 01 00 00 40 3A F9 91 5F 01 00 00 
{70} normal block at 0x0000015F91F997B0, 16 bytes long.
 Data: < &#234;&#255;&#154;&#246;           > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015F91F994E0, 16 bytes long.
 Data: <@&#233;&#255;&#154;&#246;           > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015F91F99710, 16 bytes long.
 Data: <&#248;W&#252;&#154;&#246;           > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015F91F99120, 16 bytes long.
 Data: <&#216;W&#252;&#154;&#246;           > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015F91F99490, 16 bytes long.
 Data: <P &#252;&#154;&#246;           > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015F91F99440, 16 bytes long.
 Data: <0 &#252;&#154;&#246;           > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015F91F993F0, 16 bytes long.
 Data: <&#224; &#252;&#154;&#246;           > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015F91F99A30, 16 bytes long.
 Data: <  &#252;&#154;&#246;           > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015F91F998F0, 16 bytes long.
 Data: <p &#252;&#154;&#246;           > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015F91F99850, 16 bytes long.
 Data: < &#192;&#250;&#154;&#246;           > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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