Task 38686091

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1884_0
Workunit 31627536
Created 28 Oct 2026, 0:37:18 UTC
Sent 28 Oct 2026, 0:37:23 UTC
Report deadline 2 Nov 2026, 0:37:23 UTC
Received 28 Oct 2026, 2:12:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629467
Run time 1 hours 18 min 50 sec
CPU time 1 hours 9 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,189.73 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.04 MB
Peak swap size 5.25 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
17:56:00 (22804): wrapper (7.9.26016): starting
17:56:00 (22804): 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
17:56:03 (22804): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:03 (22804): 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\12\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\12\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
19:11:29 (22804): C:/Windows/system32/cmd.exe exited; CPU time 4154.328125
19:11:29 (22804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 80306599 bytes.
Dumping objects ->
{3835230} normal block at 0x000001D0AB98E3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001D0A9CE6340, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001D0A9CE6260, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000001D0A9CE6110, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001D0A9CE5FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000001D0AB9DBD90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835144} normal block at 0x000001D0A9D3EB40, 141 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) : {3835141} normal block at 0x000001D0A9CDFAE0, 8 bytes long.
 Data: <  &#198;&#169;&#208;   > 00 00 C6 A9 D0 01 00 00 
{3834541} normal block at 0x000001D0A9D3E730, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001D0A9CE08A0, 8 bytes long.
 Data: <`&#231;&#131;&#171;&#208;   > 60 E7 83 AB D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D0A9CDE650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0A9CD75A0, 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 0x000001D0A9CE6F00, 16 bytes long.
 Data: < j&#206;&#169;&#208;           > 98 6A CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D0A9CE7900, 16 bytes long.
 Data: <pj&#206;&#169;&#208;           > 70 6A CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0A9CE18E0, 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 0x000001D0A9CE6F50, 16 bytes long.
 Data: <Hj&#206;&#169;&#208;           > 48 6A CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D0A9CE7310, 16 bytes long.
 Data: < j&#206;&#169;&#208;           > 20 6A CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0A9CE7860, 16 bytes long.
 Data: <&#248;i&#206;&#169;&#208;           > F8 69 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D0A9CE79F0, 16 bytes long.
 Data: <&#208;i&#206;&#169;&#208;           > D0 69 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0A9CE6420, 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 0x000001D0A9CE6EB0, 16 bytes long.
 Data: <(&#249;&#205;&#169;&#208;           > 28 F9 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D0A9CE1280, 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 0x000001D0A9CE6BE0, 16 bytes long.
 Data: < &#249;&#205;&#169;&#208;           > 00 F9 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D0A9CE71D0, 16 bytes long.
 Data: <&#216;&#248;&#205;&#169;&#208;           > D8 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0A9CE6DC0, 16 bytes long.
 Data: <&#176;&#248;&#205;&#169;&#208;           > B0 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0A9CE7810, 16 bytes long.
 Data: < &#248;&#205;&#169;&#208;           > 88 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0A9CE7130, 16 bytes long.
 Data: <`&#248;&#205;&#169;&#208;           > 60 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D0A9CE6FF0, 16 bytes long.
 Data: <8&#248;&#205;&#169;&#208;           > 38 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0A9CE0CE0, 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 0x000001D0A9CE75E0, 16 bytes long.
 Data: < &#248;&#205;&#169;&#208;           > 10 F8 CD A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D0A9CDF810, 320 bytes long.
 Data: <&#224;u&#206;&#169;&#208;   &#224; &#206;&#169;&#208;   > E0 75 CE A9 D0 01 00 00 E0 0C CE A9 D0 01 00 00 
{275} normal block at 0x000001D0A9CE7090, 16 bytes long.
 Data: <&#176;i&#206;&#169;&#208;           > B0 69 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D0A9CE6D70, 16 bytes long.
 Data: < i&#206;&#169;&#208;           > 88 69 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0A9CE16A0, 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 0x000001D0A9CE70E0, 16 bytes long.
 Data: <`i&#206;&#169;&#208;           > 60 69 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D0A9CE10A0, 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 0x000001D0A9CE6E60, 16 bytes long.
 Data: <&#168;h&#206;&#169;&#208;           > A8 68 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D0A9CE6E10, 16 bytes long.
 Data: < h&#206;&#169;&#208;           > 80 68 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0A9CE79A0, 16 bytes long.
 Data: <Xh&#206;&#169;&#208;           > 58 68 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0A9CE7180, 16 bytes long.
 Data: <0h&#206;&#169;&#208;           > 30 68 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D0A9CE7220, 16 bytes long.
 Data: < h&#206;&#169;&#208;           > 08 68 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0A9CE0850, 16 bytes long.
 Data: <&#224;g&#206;&#169;&#208;           > E0 67 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D0A9CE0800, 16 bytes long.
 Data: <&#176;c&#206;&#169;&#208;           > B0 63 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0A9CE63B0, 40 bytes long.
 Data: <  &#206;&#169;&#208;    &#189; &#171;&#208;   > 00 08 CE A9 D0 01 00 00 90 BD 9D AB D0 01 00 00 
{261} normal block at 0x000001D0A9CE07B0, 16 bytes long.
 Data: <&#192;g&#206;&#169;&#208;           > C0 67 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D0A9CDFFE0, 16 bytes long.
 Data: < g&#206;&#169;&#208;           > 98 67 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0A9CE1580, 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 0x000001D0A9CE06C0, 16 bytes long.
 Data: <pg&#206;&#169;&#208;           > 70 67 CE A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D0A9CE6770, 992 bytes long.
 Data: <&#192; &#206;&#169;&#208;     &#206;&#169;&#208;   > C0 06 CE A9 D0 01 00 00 80 15 CE A9 D0 01 00 00 
{93} normal block at 0x000001D0A9CE13A0, 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 0x000001D0A9CDFC70, 16 bytes long.
 Data: < &#232;&#204;&#169;&#208;           > 90 E8 CC A9 D0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D0A9CCE890, 40 bytes long.
 Data: <p&#252;&#205;&#169;&#208;   &#160; &#206;&#169;&#208;   > 70 FC CD A9 D0 01 00 00 A0 13 CE A9 D0 01 00 00 
{70} normal block at 0x000001D0A9CE0350, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D0A9CE00D0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 00 1F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0A9CE04E0, 16 bytes long.
 Data: <&#248;W&#253; &#247;           > F8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0A9CDFBD0, 16 bytes long.
 Data: <&#216;W&#253; &#247;           > D8 57 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0A9CDFD10, 16 bytes long.
 Data: <P &#253; &#247;           > 50 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0A9CE01C0, 16 bytes long.
 Data: <0 &#253; &#247;           > 30 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0A9CE0760, 16 bytes long.
 Data: <&#224; &#253; &#247;           > E0 02 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0A9CE05D0, 16 bytes long.
 Data: <  &#253; &#247;           > 10 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D0A9CDFF40, 16 bytes long.
 Data: <p &#253; &#247;           > 70 04 FD 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D0A9CE0080, 16 bytes long.
 Data: < &#192;&#251; &#247;           > 18 C0 FB 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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