Task 38688754

Name test_27-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4389_0
Workunit 31630077
Created 28 Oct 2026, 15:59:27 UTC
Sent 28 Oct 2026, 15:59:33 UTC
Report deadline 2 Nov 2026, 15:59:33 UTC
Received 28 Oct 2026, 16:17:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min 5 sec
CPU time 15 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.55 MB
Peak swap size 10.01 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:00:18 (41648): wrapper (7.9.26016): starting
11:00:18 (41648): 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
11:00:19 (41648): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:00:19 (41648): 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\19\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\19\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
11:17:07 (41648): C:/Windows/system32/cmd.exe exited; CPU time 959.359375
11:17:07 (41648): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21765109 bytes.
Dumping objects ->
{3835289} normal block at 0x0000025BCC1A5410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000025BCC1A5720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000025BCC1A5B10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000025BCC1A56B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000025BCC1A5950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000025BCDE88E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000025BCC1FD790, 135 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) : {3835200} normal block at 0x0000025BCC1A0BF0, 8 bytes long.
 Data: <   &#204;[   > 00 00 14 CC 5B 02 00 00 
{3834577} normal block at 0x0000025BCC1FDAD0, 135 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 0x0000025BCC1A0470, 8 bytes long.
 Data: <&#176;&#221;'&#204;[   > B0 DD 27 CC 5B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000025BCC1A17F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025BCC18F1F0, 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 0x0000025BCC1A6510, 16 bytes long.
 Data: <&#168;` &#204;[           > A8 60 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025BCC1A6B50, 16 bytes long.
 Data: < ` &#204;[           > 80 60 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025BCC19F470, 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 0x0000025BCC1A6600, 16 bytes long.
 Data: <X` &#204;[           > 58 60 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025BCC1A6AB0, 16 bytes long.
 Data: <0` &#204;[           > 30 60 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025BCC1A6B00, 16 bytes long.
 Data: < ` &#204;[           > 08 60 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025BCC1A6A60, 16 bytes long.
 Data: <&#224;_ &#204;[           > E0 5F 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025BCC1A5870, 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 0x0000025BCC1A6FB0, 16 bytes long.
 Data: <&#200;  &#204;[           > C8 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025BCC19F230, 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 0x0000025BCC1A6240, 16 bytes long.
 Data: <&#160;  &#204;[           > A0 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025BCC1A6E20, 16 bytes long.
 Data: <x  &#204;[           > 78 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025BCC1A62E0, 16 bytes long.
 Data: <P  &#204;[           > 50 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025BCC1A64C0, 16 bytes long.
 Data: <(  &#204;[           > 28 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025BCC1A7050, 16 bytes long.
 Data: <   &#204;[           > 00 01 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025BCC1A6880, 16 bytes long.
 Data: <&#216;  &#204;[           > D8 00 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025BCC19FD10, 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 0x0000025BCC1A6290, 16 bytes long.
 Data: <&#176;  &#204;[           > B0 00 19 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025BCC1900B0, 320 bytes long.
 Data: < b &#204;[    &#253; &#204;[   > 90 62 1A CC 5B 02 00 00 10 FD 19 CC 5B 02 00 00 
{273} normal block at 0x0000025BCC1A7140, 16 bytes long.
 Data: <&#192;_ &#204;[           > C0 5F 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025BCC1A66F0, 16 bytes long.
 Data: < _ &#204;[           > 98 5F 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025BCC19F5F0, 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 0x0000025BCC1A61F0, 16 bytes long.
 Data: <p_ &#204;[           > 70 5F 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025BCC19F0B0, 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 0x0000025BCC1A6830, 16 bytes long.
 Data: <&#184;^ &#204;[           > B8 5E 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025BCC1A6380, 16 bytes long.
 Data: < ^ &#204;[           > 90 5E 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025BCC1A6F10, 16 bytes long.
 Data: <h^ &#204;[           > 68 5E 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025BCC1A6970, 16 bytes long.
 Data: <@^ &#204;[           > 40 5E 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025BCC1A0CE0, 16 bytes long.
 Data: < ^ &#204;[           > 18 5E 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025BCC1A0B50, 16 bytes long.
 Data: <&#240;] &#204;[           > F0 5D 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025BCC1A04C0, 16 bytes long.
 Data: <@V &#204;[           > 40 56 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025BCC1A5640, 40 bytes long.
 Data: <&#192;  &#204;[   0&#142;&#232;&#205;[   > C0 04 1A CC 5B 02 00 00 30 8E E8 CD 5B 02 00 00 
{259} normal block at 0x0000025BCC1A0790, 16 bytes long.
 Data: <&#208;] &#204;[           > D0 5D 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025BCC1A01F0, 16 bytes long.
 Data: <&#168;] &#204;[           > A8 5D 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025BCC19FAD0, 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 0x0000025BCC1A0150, 16 bytes long.
 Data: < ] &#204;[           > 80 5D 1A CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000025BCC1A5D80, 992 bytes long.
 Data: <P  &#204;[   &#208;&#250; &#204;[   > 50 01 1A CC 5B 02 00 00 D0 FA 19 CC 5B 02 00 00 
{91} normal block at 0x0000025BCC19FE90, 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 0x0000025BCC1A0740, 16 bytes long.
 Data: <&#224;&#198; &#204;[           > E0 C6 18 CC 5B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000025BCC18C6E0, 40 bytes long.
 Data: <@  &#204;[    &#254; &#204;[   > 40 07 1A CC 5B 02 00 00 90 FE 19 CC 5B 02 00 00 
{68} normal block at 0x0000025BCC1A0FB0, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025BCC1A08D0, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025BCC1A0F10, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025BCC1A0420, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025BCC1A0BA0, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025BCC1A05B0, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025BCC1A07E0, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025BCC1A03D0, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025BCC1A0C40, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000025BCC1A0F60, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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