Task 38683536

Name test_957-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2331_0
Workunit 31625090
Created 27 Oct 2026, 12:11:57 UTC
Sent 27 Oct 2026, 12:12:01 UTC
Report deadline 1 Nov 2026, 12:12:01 UTC
Received 27 Oct 2026, 13:08:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 48 min 36 sec
CPU time 44 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.57 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:19:42 (38348): wrapper (7.9.26016): starting
08:19:42 (38348): 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
08:19:44 (38348): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:19:44 (38348): 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\32\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\32\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
09:07:05 (38348): C:/Windows/system32/cmd.exe exited; CPU time 2665.781250
09:07:05 (38348): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 64320911 bytes.
Dumping objects ->
{3835230} normal block at 0x000001436111DCB0, 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 0x000001436111DD90, 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 0x000001436111DE70, 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 0x000001436111DD20, 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 0x00000143610F3120, 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 0x0000014362E39310, 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 0x00000143611C45F0, 160 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 0x00000143610F1270, 8 bytes long.
 Data: <   aC   > 00 00 0A 61 43 01 00 00 
{3834544} normal block at 0x00000143611C4A50, 160 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 0x00000143610F0F00, 8 bytes long.
 Data: < &#229;&#212;bC   > 80 E5 D4 62 43 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000143610EC400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000143610E5C00, 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 0x00000143610F9DF0, 16 bytes long.
 Data: < &#161; aC           > 88 A1 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000143610F9940, 16 bytes long.
 Data: <`&#161; aC           > 60 A1 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000143610F5310, 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 0x00000143610F9760, 16 bytes long.
 Data: <8&#161; aC           > 38 A1 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000143610F98F0, 16 bytes long.
 Data: < &#161; aC           > 10 A1 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000143610F9350, 16 bytes long.
 Data: <&#232;&#160; aC           > E8 A0 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000143610F9670, 16 bytes long.
 Data: <&#192;&#160; aC           > C0 A0 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000143610F3350, 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 0x00000143610F96C0, 16 bytes long.
 Data: < D aC           > 88 44 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000143610F4B30, 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 0x00000143610F9B20, 16 bytes long.
 Data: <`D aC           > 60 44 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000143610F9210, 16 bytes long.
 Data: <8D aC           > 38 44 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000143610F9850, 16 bytes long.
 Data: < D aC           > 10 44 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000143610F9300, 16 bytes long.
 Data: <&#232;C aC           > E8 43 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000143610F9710, 16 bytes long.
 Data: <&#192;C aC           > C0 43 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000143610F95D0, 16 bytes long.
 Data: < C aC           > 98 43 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000143610F45F0, 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 0x00000143610F8F90, 16 bytes long.
 Data: <pC aC           > 70 43 0E 61 43 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000143610E4370, 320 bytes long.
 Data: <   aC   &#240;E aC   > 90 8F 0F 61 43 01 00 00 F0 45 0F 61 43 01 00 00 
{275} normal block at 0x00000143610F9DA0, 16 bytes long.
 Data: <&#160;&#160; aC           > A0 A0 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000143610F9AD0, 16 bytes long.
 Data: <x&#160; aC           > 78 A0 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000143610F4950, 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 0x00000143610F9C10, 16 bytes long.
 Data: <P&#160; aC           > 50 A0 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000143610F4AD0, 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 0x00000143610F92B0, 16 bytes long.
 Data: < &#159; aC           > 98 9F 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000143610F9CB0, 16 bytes long.
 Data: <p&#159; aC           > 70 9F 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000143610F9A80, 16 bytes long.
 Data: <H&#159; aC           > 48 9F 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000143610F9800, 16 bytes long.
 Data: < &#159; aC           > 20 9F 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000143610F9080, 16 bytes long.
 Data: <&#248;&#158; aC           > F8 9E 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000143610F9620, 16 bytes long.
 Data: <&#208;&#158; aC           > D0 9E 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000143610F9260, 16 bytes long.
 Data: < 2 aC           > 00 32 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000143610F3200, 40 bytes long.
 Data: <`&#146; aC    &#147;&#227;bC   > 60 92 0F 61 43 01 00 00 10 93 E3 62 43 01 00 00 
{261} normal block at 0x00000143610F9D00, 16 bytes long.
 Data: <&#176;&#158; aC           > B0 9E 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000143610F8FE0, 16 bytes long.
 Data: < &#158; aC           > 88 9E 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000143610F4D70, 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 0x00000143610F98A0, 16 bytes long.
 Data: <`&#158; aC           > 60 9E 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000143610F9E60, 992 bytes long.
 Data: <&#160;  aC   pM aC   > A0 98 0F 61 43 01 00 00 70 4D 0F 61 43 01 00 00 
{93} normal block at 0x00000143610F4C50, 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 0x00000143610F1220, 16 bytes long.
 Data: <`/ aC           > 60 2F 0F 61 43 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000143610F2F60, 40 bytes long.
 Data: <   aC   PL aC   > 20 12 0F 61 43 01 00 00 50 4C 0F 61 43 01 00 00 
{70} normal block at 0x00000143610F11D0, 16 bytes long.
 Data: < &#234;&#244;&#133;&#246;           > 80 EA F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000143610F14F0, 16 bytes long.
 Data: <@&#233;&#244;&#133;&#246;           > 40 E9 F4 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000143610F1130, 16 bytes long.
 Data: <&#248;W&#241;&#133;&#246;           > F8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000143610F0FF0, 16 bytes long.
 Data: <&#216;W&#241;&#133;&#246;           > D8 57 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000143610F13B0, 16 bytes long.
 Data: <P &#241;&#133;&#246;           > 50 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000143610F1CC0, 16 bytes long.
 Data: <0 &#241;&#133;&#246;           > 30 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000143610F1770, 16 bytes long.
 Data: <&#224; &#241;&#133;&#246;           > E0 02 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000143610F1680, 16 bytes long.
 Data: <  &#241;&#133;&#246;           > 10 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000143610F1720, 16 bytes long.
 Data: <p &#241;&#133;&#246;           > 70 04 F1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000143610F1C70, 16 bytes long.
 Data: < &#192;&#239;&#133;&#246;           > 18 C0 EF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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