Task 38663200

Name test_34-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9539_0
Workunit 31606423
Created 24 Oct 2026, 21:31:18 UTC
Sent 24 Oct 2026, 21:31:32 UTC
Report deadline 29 Oct 2026, 21:31:32 UTC
Received 25 Oct 2026, 12:10:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 58 min 58 sec
CPU time 55 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.19 MB
Peak swap size 6.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
12:12:10 (2020): wrapper (7.9.26016): starting
12:12:10 (2020): 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
12:12:11 (2020): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:12:11 (2020): 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\2\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\2\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
13:09:42 (2020): C:/Windows/system32/cmd.exe exited; CPU time 3308.718750
13:09:42 (2020): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 57565271 bytes.
Dumping objects ->
{3835239} normal block at 0x0000024BBDA44600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000024BBDA44360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000024BBDA44670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000024BBDA44590, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000024BBDA442F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000024BBF6B9940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000024BBDA9C840, 144 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) : {3835150} normal block at 0x0000024BBDA3E670, 8 bytes long.
 Data: <  }&#191;K   > 00 00 7D BF 4B 02 00 00 
{3834550} normal block at 0x0000024BBDA9D7B0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000024BBDA3E8F0, 8 bytes long.
 Data: <&#192; &#166;&#189;K   > C0 8F A6 BD 4B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024BBDA40000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024BBDA35340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000024BBDA45210, 16 bytes long.
 Data: < \&#164;&#189;K           > 88 5C A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024BBDA44A40, 16 bytes long.
 Data: <`\&#164;&#189;K           > 60 5C A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024BBDA3F830, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000024BBDA44E00, 16 bytes long.
 Data: <8\&#164;&#189;K           > 38 5C A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024BBDA45260, 16 bytes long.
 Data: < \&#164;&#189;K           > 10 5C A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024BBDA45710, 16 bytes long.
 Data: <&#232;[&#164;&#189;K           > E8 5B A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024BBDA449F0, 16 bytes long.
 Data: <&#192;[&#164;&#189;K           > C0 5B A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024BBDA44130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000024BBDA45800, 16 bytes long.
 Data: <x&#134;&#163;&#189;K           > 78 86 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024BBDA3EC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000024BBDA44FE0, 16 bytes long.
 Data: <P&#134;&#163;&#189;K           > 50 86 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024BBDA451C0, 16 bytes long.
 Data: <(&#134;&#163;&#189;K           > 28 86 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024BBDA45620, 16 bytes long.
 Data: < &#134;&#163;&#189;K           > 00 86 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024BBDA45030, 16 bytes long.
 Data: <&#216;&#133;&#163;&#189;K           > D8 85 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024BBDA457B0, 16 bytes long.
 Data: <&#176;&#133;&#163;&#189;K           > B0 85 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024BBDA44D60, 16 bytes long.
 Data: < &#133;&#163;&#189;K           > 88 85 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024BBDA3F530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000024BBDA44F90, 16 bytes long.
 Data: <`&#133;&#163;&#189;K           > 60 85 A3 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024BBDA38560, 320 bytes long.
 Data: < O&#164;&#189;K   0&#245;&#163;&#189;K   > 90 4F A4 BD 4B 02 00 00 30 F5 A3 BD 4B 02 00 00 
{273} normal block at 0x0000024BBDA45170, 16 bytes long.
 Data: <&#160;[&#164;&#189;K           > A0 5B A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024BBDA458A0, 16 bytes long.
 Data: <x[&#164;&#189;K           > 78 5B A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024BBDA3F710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000024BBDA45580, 16 bytes long.
 Data: <P[&#164;&#189;K           > 50 5B A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024BBDA3F350, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000024BBDA454E0, 16 bytes long.
 Data: < Z&#164;&#189;K           > 98 5A A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024BBDA44D10, 16 bytes long.
 Data: <pZ&#164;&#189;K           > 70 5A A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024BBDA44C20, 16 bytes long.
 Data: <HZ&#164;&#189;K           > 48 5A A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024BBDA449A0, 16 bytes long.
 Data: < Z&#164;&#189;K           > 20 5A A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024BBDA45760, 16 bytes long.
 Data: <&#248;Y&#164;&#189;K           > F8 59 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024BBDA44DB0, 16 bytes long.
 Data: <&#208;Y&#164;&#189;K           > D0 59 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024BBDA458F0, 16 bytes long.
 Data: <&#176;D&#164;&#189;K           > B0 44 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024BBDA444B0, 40 bytes long.
 Data: <&#240;X&#164;&#189;K   @ k&#191;K   > F0 58 A4 BD 4B 02 00 00 40 99 6B BF 4B 02 00 00 
{259} normal block at 0x0000024BBDA44CC0, 16 bytes long.
 Data: <&#176;Y&#164;&#189;K           > B0 59 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024BBDA45120, 16 bytes long.
 Data: < Y&#164;&#189;K           > 88 59 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024BBDA3F3B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000024BBDA44A90, 16 bytes long.
 Data: <`Y&#164;&#189;K           > 60 59 A4 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024BBDA45960, 992 bytes long.
 Data: < J&#164;&#189;K   &#176;&#243;&#163;&#189;K   > 90 4A A4 BD 4B 02 00 00 B0 F3 A3 BD 4B 02 00 00 
{91} normal block at 0x0000024BBDA3EF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000024BBDA3E490, 16 bytes long.
 Data: <&#240;&#237;&#162;&#189;K           > F0 ED A2 BD 4B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000024BBDA2EDF0, 40 bytes long.
 Data: < &#228;&#163;&#189;K    &#239;&#163;&#189;K   > 90 E4 A3 BD 4B 02 00 00 90 EF A3 BD 4B 02 00 00 
{68} normal block at 0x0000024BBDA3E8A0, 16 bytes long.
 Data: < &#234;&#248;;&#247;           > 80 EA F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024BBDA3E850, 16 bytes long.
 Data: <@&#233;&#248;;&#247;           > 40 E9 F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024BBDA3E5D0, 16 bytes long.
 Data: <&#248;W&#245;;&#247;           > F8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024BBDA3EB20, 16 bytes long.
 Data: <&#216;W&#245;;&#247;           > D8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024BBDA3E0D0, 16 bytes long.
 Data: <P &#245;;&#247;           > 50 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024BBDA3E9E0, 16 bytes long.
 Data: <0 &#245;;&#247;           > 30 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024BBDA3E7B0, 16 bytes long.
 Data: <&#224; &#245;;&#247;           > E0 02 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024BBDA3E260, 16 bytes long.
 Data: <  &#245;;&#247;           > 10 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024BBDA3EA80, 16 bytes long.
 Data: <p &#245;;&#247;           > 70 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024BBDA3E3F0, 16 bytes long.
 Data: < &#192;&#243;;&#247;           > 18 C0 F3 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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