Task 38648993

Name test_709-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND8128_1
Workunit 31592555
Created 23 Oct 2026, 20:57:29 UTC
Sent 24 Oct 2026, 3:24:52 UTC
Report deadline 29 Oct 2026, 3:24:52 UTC
Received 24 Oct 2026, 4:28:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 55 min 13 sec
CPU time 51 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 648.39 MB
Peak swap size 5.24 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:35:37 (2412): wrapper (7.9.26016): starting
20:35:37 (2412): 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
20:35:40 (2412): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:35:40 (2412): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
21:27:19 (2412): C:/Windows/system32/cmd.exe exited; CPU time 3064.921875
21:27:19 (2412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36116089 bytes.
Dumping objects ->
{3835225} normal block at 0x000001CC7D17B020, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x000001CC7B6AFD00, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x000001CC7B6AFEC0, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x000001CC7B6AFD70, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x000001CC7B6AFC20, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x000001CC7D17B520, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x000001CC7D265D60, 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) : {3835136} normal block at 0x000001CC7B6A6930, 8 bytes long.
 Data: <  h{&#204;   > 00 00 68 7B CC 01 00 00 
{3834541} normal block at 0x000001CC7D265F20, 160 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 0x000001CC7B6A6C00, 8 bytes long.
 Data: <`d&}&#204;   > 60 64 26 7D CC 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001CC7B6B0270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001CC7B69B030, 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 0x000001CC7B6B15D0, 16 bytes long.
 Data: <&#168;9k{&#204;           > A8 39 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CC7B6B1E40, 16 bytes long.
 Data: < 9k{&#204;           > 80 39 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001CC7B6AD670, 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 0x000001CC7B6B1DF0, 16 bytes long.
 Data: <X9k{&#204;           > 58 39 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CC7B6B1DA0, 16 bytes long.
 Data: <09k{&#204;           > 30 39 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CC7B6B1BC0, 16 bytes long.
 Data: < 9k{&#204;           > 08 39 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CC7B6B1B70, 16 bytes long.
 Data: <&#224;8k{&#204;           > E0 38 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CC7B6AFB40, 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 0x000001CC7B6B2110, 16 bytes long.
 Data: < &#188;i{&#204;           > 98 BC 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CC7B6AD0D0, 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 0x000001CC7B6B1A80, 16 bytes long.
 Data: <p&#188;i{&#204;           > 70 BC 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CC7B6B1D50, 16 bytes long.
 Data: <H&#188;i{&#204;           > 48 BC 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CC7B6B21B0, 16 bytes long.
 Data: < &#188;i{&#204;           > 20 BC 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CC7B6B1F30, 16 bytes long.
 Data: <&#248;&#187;i{&#204;           > F8 BB 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CC7B6B18F0, 16 bytes long.
 Data: <&#208;&#187;i{&#204;           > D0 BB 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CC7B6B1850, 16 bytes long.
 Data: <&#168;&#187;i{&#204;           > A8 BB 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CC7B6ACBF0, 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 0x000001CC7B6B1530, 16 bytes long.
 Data: < &#187;i{&#204;           > 80 BB 69 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CC7B69BB80, 320 bytes long.
 Data: <0 k{&#204;   &#240;&#203;j{&#204;   > 30 15 6B 7B CC 01 00 00 F0 CB 6A 7B CC 01 00 00 
{273} normal block at 0x000001CC7B6B13F0, 16 bytes long.
 Data: <&#192;8k{&#204;           > C0 38 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CC7B6B20C0, 16 bytes long.
 Data: < 8k{&#204;           > 98 38 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CC7B6AD430, 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 0x000001CC7B6B18A0, 16 bytes long.
 Data: <p8k{&#204;           > 70 38 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CC7B6AD370, 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 0x000001CC7B6B1B20, 16 bytes long.
 Data: <&#184;7k{&#204;           > B8 37 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CC7B6B16C0, 16 bytes long.
 Data: < 7k{&#204;           > 90 37 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CC7B6B1440, 16 bytes long.
 Data: <h7k{&#204;           > 68 37 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CC7B6B1800, 16 bytes long.
 Data: <@7k{&#204;           > 40 37 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CC7B6B1FD0, 16 bytes long.
 Data: < 7k{&#204;           > 18 37 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CC7B6B1A30, 16 bytes long.
 Data: <&#240;6k{&#204;           > F0 36 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CC7B6B1300, 16 bytes long.
 Data: <&#208;&#250;j{&#204;           > D0 FA 6A 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CC7B6AFAD0, 40 bytes long.
 Data: <  k{&#204;    &#181; }&#204;   > 00 13 6B 7B CC 01 00 00 20 B5 17 7D CC 01 00 00 
{259} normal block at 0x000001CC7B6B1990, 16 bytes long.
 Data: <&#208;6k{&#204;           > D0 36 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CC7B6B1C10, 16 bytes long.
 Data: <&#168;6k{&#204;           > A8 36 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001CC7B6ACFB0, 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 0x000001CC7B6B1490, 16 bytes long.
 Data: < 6k{&#204;           > 80 36 6B 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CC7B6B3680, 992 bytes long.
 Data: <  k{&#204;   &#176;&#207;j{&#204;   > 90 14 6B 7B CC 01 00 00 B0 CF 6A 7B CC 01 00 00 
{91} normal block at 0x000001CC7B6AD850, 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 0x000001CC7B6A7420, 16 bytes long.
 Data: <`&#250;j{&#204;           > 60 FA 6A 7B CC 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001CC7B6AFA60, 40 bytes long.
 Data: < tj{&#204;   P&#216;j{&#204;   > 20 74 6A 7B CC 01 00 00 50 D8 6A 7B CC 01 00 00 
{68} normal block at 0x000001CC7B6A6CA0, 16 bytes long.
 Data: < &#234;&#253;u&#247;           > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CC7B6A6B10, 16 bytes long.
 Data: <@&#233;&#253;u&#247;           > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CC7B6A68E0, 16 bytes long.
 Data: <&#248;W&#250;u&#247;           > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CC7B6A6A20, 16 bytes long.
 Data: <&#216;W&#250;u&#247;           > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CC7B6A6840, 16 bytes long.
 Data: <P &#250;u&#247;           > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CC7B6A73D0, 16 bytes long.
 Data: <0 &#250;u&#247;           > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CC7B6A6C50, 16 bytes long.
 Data: <&#224; &#250;u&#247;           > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CC7B6A6570, 16 bytes long.
 Data: <  &#250;u&#247;           > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CC7B6A6BB0, 16 bytes long.
 Data: <p &#250;u&#247;           > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CC7B6A7330, 16 bytes long.
 Data: < &#192;&#248;u&#247;           > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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