Task 38666500

Name test_316-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1032_0
Workunit 31609390
Created 25 Oct 2026, 3:30:53 UTC
Sent 25 Oct 2026, 3:44:42 UTC
Report deadline 30 Oct 2026, 3:44:42 UTC
Received 25 Oct 2026, 5:18:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617663
Run time 30 min 53 sec
CPU time 28 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.29 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:47:12 (15752): wrapper (7.9.26016): starting
23:47:12 (15752): 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
23:47:14 (15752): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:47:14 (15752): 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 'F:\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 'F:\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
00:17:50 (15752): C:/Windows/system32/cmd.exe exited; CPU time 1739.875000
00:17:50 (15752): 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: 37540525 bytes.
Dumping objects ->
{3835194} normal block at 0x0000015C093F95E0, 48 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000015C07785820, 48 bytes long.
 Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000015C07785740, 48 bytes long.
 Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000015C07785660, 48 bytes long.
 Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000015C077855F0, 48 bytes long.
 Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x0000015C09409300, 64 bytes long.
 Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x0000015C0777F650, 8 bytes long.
 Data: <  o \   > 00 00 6F 07 5C 01 00 00 
{3833959} normal block at 0x0000015C0777F6F0, 8 bytes long.
 Data: < &#224;v \   > 10 E0 76 07 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000015C07777130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015C07777A80, 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 0x0000015C07786730, 16 bytes long.
 Data: <Hex \           > 48 65 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015C07787310, 16 bytes long.
 Data: < ex \           > 20 65 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015C07780C40, 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 0x0000015C07786780, 16 bytes long.
 Data: <&#248;dx \           > F8 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015C07786910, 16 bytes long.
 Data: <&#208;dx \           > D0 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C07786870, 16 bytes long.
 Data: <&#168;dx \           > A8 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015C07786B90, 16 bytes long.
 Data: < dx \           > 80 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C07785510, 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 0x0000015C07786820, 16 bytes long.
 Data: <h&#206;v \           > 68 CE 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015C07780B20, 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 0x0000015C077866E0, 16 bytes long.
 Data: <@&#206;v \           > 40 CE 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015C077874F0, 16 bytes long.
 Data: < &#206;v \           > 18 CE 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C07786690, 16 bytes long.
 Data: <&#240;&#205;v \           > F0 CD 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015C07786A00, 16 bytes long.
 Data: <&#200;&#205;v \           > C8 CD 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C077872C0, 16 bytes long.
 Data: <&#160;&#205;v \           > A0 CD 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015C07786BE0, 16 bytes long.
 Data: <x&#205;v \           > 78 CD 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015C07780AC0, 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 0x0000015C07787540, 16 bytes long.
 Data: <P&#205;v \           > 50 CD 76 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015C0776CD50, 320 bytes long.
 Data: <@ux \   &#192; x \   > 40 75 78 07 5C 01 00 00 C0 0A 78 07 5C 01 00 00 
{275} normal block at 0x0000015C07786FA0, 16 bytes long.
 Data: <`dx \           > 60 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015C077867D0, 16 bytes long.
 Data: <8dx \           > 38 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C077814E0, 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 0x0000015C077875E0, 16 bytes long.
 Data: < dx \           > 10 64 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015C07780CA0, 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 0x0000015C07787270, 16 bytes long.
 Data: <Xcx \           > 58 63 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015C07787090, 16 bytes long.
 Data: <0cx \           > 30 63 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C07786F00, 16 bytes long.
 Data: < cx \           > 08 63 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C07786FF0, 16 bytes long.
 Data: <&#224;bx \           > E0 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015C07787590, 16 bytes long.
 Data: <&#184;bx \           > B8 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C0777F290, 16 bytes long.
 Data: < bx \           > 90 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015C0777F240, 16 bytes long.
 Data: <PZx \           > 50 5A 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C07785A50, 40 bytes long.
 Data: <@&#242;w \    &#147;@	\   > 40 F2 77 07 5C 01 00 00 00 93 40 09 5C 01 00 00 
{261} normal block at 0x0000015C0777F0B0, 16 bytes long.
 Data: <pbx \           > 70 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015C0777F060, 16 bytes long.
 Data: <Hbx \           > 48 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C077818A0, 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 0x0000015C0777F100, 16 bytes long.
 Data: < bx \           > 20 62 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015C07786220, 992 bytes long.
 Data: < &#241;w \   &#160; x \   > 00 F1 77 07 5C 01 00 00 A0 18 78 07 5C 01 00 00 
{93} normal block at 0x0000015C07781000, 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 0x0000015C0777F150, 16 bytes long.
 Data: < Xx \           > 90 58 78 07 5C 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000015C07785890, 40 bytes long.
 Data: <P&#241;w \     x \   > 50 F1 77 07 5C 01 00 00 00 10 78 07 5C 01 00 00 
{70} normal block at 0x0000015C0777F920, 16 bytes long.
 Data: < &#234;&&#250;&#247;           > 80 EA 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000015C0777F560, 16 bytes long.
 Data: <@&#233;&&#250;&#247;           > 40 E9 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015C0777F600, 16 bytes long.
 Data: <&#248;W#&#250;&#247;           > F8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015C0777EA20, 16 bytes long.
 Data: <&#216;W#&#250;&#247;           > D8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015C0777EBB0, 16 bytes long.
 Data: <P #&#250;&#247;           > 50 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015C0777EB10, 16 bytes long.
 Data: <0 #&#250;&#247;           > 30 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015C0777EE30, 16 bytes long.
 Data: <&#224; #&#250;&#247;           > E0 02 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C0777EC00, 16 bytes long.
 Data: <  #&#250;&#247;           > 10 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C0777EA70, 16 bytes long.
 Data: <p #&#250;&#247;           > 70 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C0777F830, 16 bytes long.
 Data: < &#192;!&#250;&#247;           > 18 C0 21 FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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