Task 38667194

Name test_108-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1347_0
Workunit 31609857
Created 25 Oct 2026, 6:46:59 UTC
Sent 25 Oct 2026, 6:47:29 UTC
Report deadline 30 Oct 2026, 6:47:29 UTC
Received 25 Oct 2026, 10:30:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652765
Run time 1 hours 17 min 32 sec
CPU time 1 hours 15 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.44 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.50 MB
Peak swap size 12.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:15:10 (3492): wrapper (7.9.26016): starting
10:15:10 (3492): 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
10:15:13 (3492): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:15:13 (3492): 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\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 'C:\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
11:29:46 (3492): C:/Windows/system32/cmd.exe exited; CPU time 4542.515625
11:29:46 (3492): 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: 52923741 bytes.
Dumping objects ->
{3835186} normal block at 0x0000022BA70746B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000022BA7074480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x0000022BA7074410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x0000022BA7074790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x0000022BA70748E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x0000022BA8D5A770, 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) : {3835098} normal block at 0x0000022BA706FF60, 8 bytes long.
 Data: <   &#167;+   > 00 00 00 A7 2B 02 00 00 
{3833951} normal block at 0x0000022BA706FD80, 8 bytes long.
 Data: <0B&#219;&#168;+   > 30 42 DB A8 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000022BA7070570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022BA705ED40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000022BA7075940, 16 bytes long.
 Data: <&#248;R &#167;+           > F8 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022BA7076390, 16 bytes long.
 Data: <&#208;R &#167;+           > D0 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022BA706E170, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000022BA7075490, 16 bytes long.
 Data: <&#168;R &#167;+           > A8 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022BA7076160, 16 bytes long.
 Data: < R &#167;+           > 80 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022BA70758F0, 16 bytes long.
 Data: <XR &#167;+           > 58 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022BA70758A0, 16 bytes long.
 Data: <0R &#167;+           > 30 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022BA7074B10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000022BA7075EE0, 16 bytes long.
 Data: <&#248;  &#167;+           > F8 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022BA706EB30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000022BA7075850, 16 bytes long.
 Data: <&#208;  &#167;+           > D0 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022BA7075A30, 16 bytes long.
 Data: <&#168;  &#167;+           > A8 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022BA7075E90, 16 bytes long.
 Data: <   &#167;+           > 80 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022BA7075670, 16 bytes long.
 Data: <X  &#167;+           > 58 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022BA70757B0, 16 bytes long.
 Data: <0  &#167;+           > 30 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022BA7075BC0, 16 bytes long.
 Data: <   &#167;+           > 08 00 06 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022BA706E110, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000022BA7075800, 16 bytes long.
 Data: <&#224;&#255; &#167;+           > E0 FF 05 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022BA705FFE0, 320 bytes long.
 Data: < X &#167;+    &#225; &#167;+   > 00 58 07 A7 2B 02 00 00 10 E1 06 A7 2B 02 00 00 
{271} normal block at 0x0000022BA7076340, 16 bytes long.
 Data: < R &#167;+           > 10 52 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022BA7075B20, 16 bytes long.
 Data: <&#232;Q &#167;+           > E8 51 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022BA706ECB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000022BA70759E0, 16 bytes long.
 Data: <&#192;Q &#167;+           > C0 51 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022BA706E7D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000022BA7075710, 16 bytes long.
 Data: < Q &#167;+           > 08 51 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022BA7075760, 16 bytes long.
 Data: <&#224;P &#167;+           > E0 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022BA7076020, 16 bytes long.
 Data: <&#184;P &#167;+           > B8 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022BA706F240, 16 bytes long.
 Data: < P &#167;+           > 90 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022BA706F1F0, 16 bytes long.
 Data: <hP &#167;+           > 68 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022BA706FE20, 16 bytes long.
 Data: <@P &#167;+           > 40 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022BA706FDD0, 16 bytes long.
 Data: < H &#167;+           > 00 48 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022BA7074800, 40 bytes long.
 Data: <&#208;&#253; &#167;+   p&#167;&#213;&#168;+   > D0 FD 06 A7 2B 02 00 00 70 A7 D5 A8 2B 02 00 00 
{257} normal block at 0x0000022BA706FFB0, 16 bytes long.
 Data: < P &#167;+           > 20 50 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022BA706F6F0, 16 bytes long.
 Data: <&#248;O &#167;+           > F8 4F 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022BA706E350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000022BA706FA60, 16 bytes long.
 Data: <&#208;O &#167;+           > D0 4F 07 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022BA7074FD0, 992 bytes long.
 Data: <`&#250; &#167;+   P&#227; &#167;+   > 60 FA 06 A7 2B 02 00 00 50 E3 06 A7 2B 02 00 00 
{89} normal block at 0x0000022BA706E290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000022BA706F330, 16 bytes long.
 Data: <&#160;&#192; &#167;+           > A0 C0 05 A7 2B 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000022BA705C0A0, 40 bytes long.
 Data: <0&#243; &#167;+    &#226; &#167;+   > 30 F3 06 A7 2B 02 00 00 90 E2 06 A7 2B 02 00 00 
{66} normal block at 0x0000022BA706F880, 16 bytes long.
 Data: < &#234;Q&#195;&#247;           > 80 EA 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022BA706FBF0, 16 bytes long.
 Data: <@&#233;Q&#195;&#247;           > 40 E9 51 C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022BA706FEC0, 16 bytes long.
 Data: <&#248;WN&#195;&#247;           > F8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022BA706F650, 16 bytes long.
 Data: <&#216;WN&#195;&#247;           > D8 57 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022BA706F8D0, 16 bytes long.
 Data: <P N&#195;&#247;           > 50 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022BA706F9C0, 16 bytes long.
 Data: <0 N&#195;&#247;           > 30 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022BA706FCE0, 16 bytes long.
 Data: <&#224; N&#195;&#247;           > E0 02 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022BA706F970, 16 bytes long.
 Data: <  N&#195;&#247;           > 10 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022BA706F4C0, 16 bytes long.
 Data: <p N&#195;&#247;           > 70 04 4E C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022BA706F380, 16 bytes long.
 Data: < &#192;L&#195;&#247;           > 18 C0 4C C3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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