Task 38681867

Name test_958-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8057_0
Workunit 31623511
Created 27 Oct 2026, 5:41:37 UTC
Sent 27 Oct 2026, 5:41:45 UTC
Report deadline 1 Nov 2026, 5:41:45 UTC
Received 27 Oct 2026, 6:59:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627984
Run time 36 min 5 sec
CPU time 36 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,104.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.88 MB
Peak swap size 14.34 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:23:19 (9892): wrapper (7.9.26016): starting
08:23:19 (9892): 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
08:23:21 (9892): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:23:21 (9892): 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\42\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\42\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
08:59:18 (9892): C:/Windows/system32/cmd.exe exited; CPU time 2165.406250
08:59:18 (9892): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 51391727 bytes.
Dumping objects ->
{3835234} normal block at 0x00000152B12E18A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000152B12E1830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000152B12E1670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x00000152B12E1C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x00000152B12E17C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x00000152B15D5930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x00000152AF73C640, 180 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) : {3835145} normal block at 0x00000152AF712180, 8 bytes long.
 Data: <  f&#175;R   > 00 00 66 AF 52 01 00 00 
{3834543} normal block at 0x00000152AF73C460, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000152AF711EB0, 8 bytes long.
 Data: <&#192;&#232;~&#175;R   > C0 E8 7E AF 52 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000152AF712930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000152AF6FA900, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000152AF708F70, 16 bytes long.
 Data: <hKq&#175;R           > 68 4B 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000152AF708ED0, 16 bytes long.
 Data: <@Kq&#175;R           > 40 4B 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000152AF70EA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000152AF708C50, 16 bytes long.
 Data: < Kq&#175;R           > 18 4B 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000152AF708E80, 16 bytes long.
 Data: <&#240;Jq&#175;R           > F0 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000152AF709650, 16 bytes long.
 Data: <&#200;Jq&#175;R           > C8 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000152AF709600, 16 bytes long.
 Data: <&#160;Jq&#175;R           > A0 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000152AF70D940, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000152AF709060, 16 bytes long.
 Data: <8&#216;o&#175;R           > 38 D8 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000152AF70F260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000152AF708A20, 16 bytes long.
 Data: < &#216;o&#175;R           > 10 D8 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000152AF708DE0, 16 bytes long.
 Data: <&#232;&#215;o&#175;R           > E8 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000152AF7089D0, 16 bytes long.
 Data: <&#192;&#215;o&#175;R           > C0 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000152AF708980, 16 bytes long.
 Data: < &#215;o&#175;R           > 98 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000152AF711CD0, 16 bytes long.
 Data: <p&#215;o&#175;R           > 70 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000152AF7122C0, 16 bytes long.
 Data: <H&#215;o&#175;R           > 48 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000152AF70EC00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000152AF711C80, 16 bytes long.
 Data: < &#215;o&#175;R           > 20 D7 6F AF 52 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000152AF6FD720, 320 bytes long.
 Data: <&#128; q&#175;R    &#236;p&#175;R   > 80 1C 71 AF 52 01 00 00 00 EC 70 AF 52 01 00 00 
{267} normal block at 0x00000152AF712090, 16 bytes long.
 Data: <&#128;Jq&#175;R           > 80 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000152AF712040, 16 bytes long.
 Data: <XJq&#175;R           > 58 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000152AF70E720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000152AF712310, 16 bytes long.
 Data: <0Jq&#175;R           > 30 4A 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000152AF70E9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000152AF711F50, 16 bytes long.
 Data: <xIq&#175;R           > 78 49 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000152AF711E10, 16 bytes long.
 Data: <PIq&#175;R           > 50 49 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000152AF711C30, 16 bytes long.
 Data: <(Iq&#175;R           > 28 49 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000152AF7121D0, 16 bytes long.
 Data: < Iq&#175;R           > 00 49 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000152AF711DC0, 16 bytes long.
 Data: <&#216;Hq&#175;R           > D8 48 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000152AF711D20, 16 bytes long.
 Data: <&#176;Hq&#175;R           > B0 48 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000152AF711D70, 16 bytes long.
 Data: <&#208;&#216;p&#175;R           > D0 D8 70 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000152AF70D8D0, 40 bytes long.
 Data: <p q&#175;R   0Y]&#177;R   > 70 1D 71 AF 52 01 00 00 30 59 5D B1 52 01 00 00 
{253} normal block at 0x00000152AF712130, 16 bytes long.
 Data: <&#144;Hq&#175;R           > 90 48 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000152AF7120E0, 16 bytes long.
 Data: <hHq&#175;R           > 68 48 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000152AF70E900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000152AF711FF0, 16 bytes long.
 Data: <@Hq&#175;R           > 40 48 71 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000152AF714840, 992 bytes long.
 Data: <&#240; q&#175;R    &#233;p&#175;R   > F0 1F 71 AF 52 01 00 00 00 E9 70 AF 52 01 00 00 
{85} normal block at 0x00000152AF70EF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000152AF709100, 16 bytes long.
 Data: <&#128;&#215;p&#175;R           > 80 D7 70 AF 52 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000152AF70D780, 40 bytes long.
 Data: < &#145;p&#175;R   `&#239;p&#175;R   > 00 91 70 AF 52 01 00 00 60 EF 70 AF 52 01 00 00 
{62} normal block at 0x00000152AF708BB0, 16 bytes long.
 Data: <&#128;&#234;&#210;~&#246;           > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000152AF708D40, 16 bytes long.
 Data: <@&#233;&#210;~&#246;           > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000152AF708CF0, 16 bytes long.
 Data: <&#248;W&#207;~&#246;           > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000152AF709150, 16 bytes long.
 Data: <&#216;W&#207;~&#246;           > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000152AF7088E0, 16 bytes long.
 Data: <P &#207;~&#246;           > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000152AF709560, 16 bytes long.
 Data: <0 &#207;~&#246;           > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000152AF708CA0, 16 bytes long.
 Data: <&#224; &#207;~&#246;           > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000152AF7091F0, 16 bytes long.
 Data: <  &#207;~&#246;           > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000152AF709470, 16 bytes long.
 Data: <p &#207;~&#246;           > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000152AF709330, 16 bytes long.
 Data: < &#192;&#205;~&#246;           > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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