Task 38687793

Name test_953-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6838_0
Workunit 31629171
Created 28 Oct 2026, 9:48:35 UTC
Sent 28 Oct 2026, 9:48:45 UTC
Report deadline 2 Nov 2026, 9:48:45 UTC
Received 28 Oct 2026, 10:31:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 21 min 14 sec
CPU time 19 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.44 MB
Peak swap size 13.04 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:11:42 (20328): wrapper (7.9.26016): starting
06:11:42 (20328): 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
06:11:44 (20328): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:11:44 (20328): 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
06:31:04 (20328): C:/Windows/system32/cmd.exe exited; CPU time 1146.078125
06:31:04 (20328): 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: 24865125 bytes.
Dumping objects ->
{3835197} normal block at 0x000001FCDC1F3D70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001FCDC1F3B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001FCDC1F3AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x000001FCDC1F3D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001FCDC1F3980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x000001FCDE44A3E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835109} normal block at 0x000001FCDC1EE1D0, 8 bytes long.
 Data: <   &#220;&#252;   > 00 00 0F DC FC 01 00 00 
{3833959} normal block at 0x000001FCDC1EE680, 8 bytes long.
 Data: <0 J&#222;&#252;   > 30 13 4A DE FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FCDC1E5420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FCDC1EFB30, 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 0x000001FCDC1F4E60, 16 bytes long.
 Data: < W &#220;&#252;           > 98 57 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FCDC1F4960, 16 bytes long.
 Data: <pW &#220;&#252;           > 70 57 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FCDC1EEE50, 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 0x000001FCDC1F4B90, 16 bytes long.
 Data: <HW &#220;&#252;           > 48 57 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FCDC1F4550, 16 bytes long.
 Data: < W &#220;&#252;           > 20 57 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FCDC1F4AA0, 16 bytes long.
 Data: <&#248;V &#220;&#252;           > F8 56 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FCDC1F48C0, 16 bytes long.
 Data: <&#208;V &#220;&#252;           > D0 56 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FCDC1F3E50, 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 0x000001FCDC1F4500, 16 bytes long.
 Data: <X&#224; &#220;&#252;           > 58 E0 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FCDC1EE9D0, 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 0x000001FCDC1F4A00, 16 bytes long.
 Data: <0&#224; &#220;&#252;           > 30 E0 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FCDC1F4C30, 16 bytes long.
 Data: < &#224; &#220;&#252;           > 08 E0 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FCDC1F5130, 16 bytes long.
 Data: <&#224;&#223; &#220;&#252;           > E0 DF 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FCDC1F50E0, 16 bytes long.
 Data: <&#184;&#223; &#220;&#252;           > B8 DF 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FCDC1F4910, 16 bytes long.
 Data: < &#223; &#220;&#252;           > 90 DF 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FCDC1F5220, 16 bytes long.
 Data: <h&#223; &#220;&#252;           > 68 DF 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FCDC1EEB50, 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 0x000001FCDC1F5360, 16 bytes long.
 Data: <@&#223; &#220;&#252;           > 40 DF 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FCDC1DDF40, 320 bytes long.
 Data: <`S &#220;&#252;   P&#235; &#220;&#252;   > 60 53 1F DC FC 01 00 00 50 EB 1E DC FC 01 00 00 
{275} normal block at 0x000001FCDC1F5400, 16 bytes long.
 Data: <&#176;V &#220;&#252;           > B0 56 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FCDC1F45F0, 16 bytes long.
 Data: < V &#220;&#252;           > 88 56 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FCDC1EF870, 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 0x000001FCDC1F4A50, 16 bytes long.
 Data: <`V &#220;&#252;           > 60 56 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FCDC1EF810, 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 0x000001FCDC1F5090, 16 bytes long.
 Data: <&#168;U &#220;&#252;           > A8 55 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FCDC1F5040, 16 bytes long.
 Data: < U &#220;&#252;           > 80 55 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FCDC1F5310, 16 bytes long.
 Data: <XU &#220;&#252;           > 58 55 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FCDC1F53B0, 16 bytes long.
 Data: <0U &#220;&#252;           > 30 55 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FCDC1F4EB0, 16 bytes long.
 Data: < U &#220;&#252;           > 08 55 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FCDC1F47D0, 16 bytes long.
 Data: <&#224;T &#220;&#252;           > E0 54 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FCDC1F4CD0, 16 bytes long.
 Data: <&#160;? &#220;&#252;           > A0 3F 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FCDC1F3FA0, 40 bytes long.
 Data: <&#208;L &#220;&#252;   &#224;&#163;D&#222;&#252;   > D0 4C 1F DC FC 01 00 00 E0 A3 44 DE FC 01 00 00 
{261} normal block at 0x000001FCDC1F4D70, 16 bytes long.
 Data: <&#192;T &#220;&#252;           > C0 54 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FCDC1F49B0, 16 bytes long.
 Data: < T &#220;&#252;           > 98 54 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FCDC1EF6F0, 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 0x000001FCDC1F4B40, 16 bytes long.
 Data: <pT &#220;&#252;           > 70 54 1F DC FC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FCDC1F5470, 992 bytes long.
 Data: <@K &#220;&#252;   &#240;&#246; &#220;&#252;   > 40 4B 1F DC FC 01 00 00 F0 F6 1E DC FC 01 00 00 
{93} normal block at 0x000001FCDC1EED90, 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 0x000001FCDC1EE180, 16 bytes long.
 Data: < &#194; &#220;&#252;           > 00 C2 1D DC FC 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001FCDC1DC200, 40 bytes long.
 Data: < &#225; &#220;&#252;    &#237; &#220;&#252;   > 80 E1 1E DC FC 01 00 00 90 ED 1E DC FC 01 00 00 
{70} normal block at 0x000001FCDC1EE590, 16 bytes long.
 Data: < &#234;&#216;&#160;&#247;           > 80 EA D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FCDC1EE4F0, 16 bytes long.
 Data: <@&#233;&#216;&#160;&#247;           > 40 E9 D8 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FCDC1EE040, 16 bytes long.
 Data: <&#248;W&#213;&#160;&#247;           > F8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FCDC1EDAA0, 16 bytes long.
 Data: <&#216;W&#213;&#160;&#247;           > D8 57 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FCDC1EDC80, 16 bytes long.
 Data: <P &#213;&#160;&#247;           > 50 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FCDC1ED960, 16 bytes long.
 Data: <0 &#213;&#160;&#247;           > 30 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FCDC1EE860, 16 bytes long.
 Data: <&#224; &#213;&#160;&#247;           > E0 02 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FCDC1EE400, 16 bytes long.
 Data: <  &#213;&#160;&#247;           > 10 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FCDC1EDB90, 16 bytes long.
 Data: <p &#213;&#160;&#247;           > 70 04 D5 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FCDC1EDE10, 16 bytes long.
 Data: < &#192;&#211;&#160;&#247;           > 18 C0 D3 A0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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