Task 38670628

Name test_290-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6659_0
Workunit 31612866
Created 25 Oct 2026, 18:06:26 UTC
Sent 25 Oct 2026, 18:06:31 UTC
Report deadline 30 Oct 2026, 18:06:31 UTC
Received 25 Oct 2026, 18:30:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 23 min 46 sec
CPU time 20 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 759.29 MB
Peak swap size 13.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:08:15 (44644): wrapper (7.9.26016): starting
18:08:15 (44644): 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
18:08:17 (44644): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:08:17 (44644): 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 'D:\Boinc\data\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 'D:\Boinc\data\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
18:30:24 (44644): C:/Windows/system32/cmd.exe exited; CPU time 1238.640625
18:30:24 (44644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 31828088 bytes.
Dumping objects ->
{3835279} normal block at 0x000002543E7F4830, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x0000025440637100, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x0000025440636C20, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x0000025440636F20, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x0000025440636EC0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000002543E7F47C0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x00000254405FD020, 85 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) : {3835190} normal block at 0x000002543E7EF230, 8 bytes long.
 Data: <  &#225;>T   > 00 00 E1 3E 54 02 00 00 
{3834567} normal block at 0x00000254405FCD00, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002543E7EF3C0, 8 bytes long.
 Data: <&#192;&#168; >T   > C0 A8 81 3E 54 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002543E7F09E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002543E7E62C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002543E7F5920, 16 bytes long.
 Data: <&#184;f >T           > B8 66 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002543E7F5880, 16 bytes long.
 Data: < f >T           > 90 66 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002543E7F0490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002543E7F62D0, 16 bytes long.
 Data: <hf >T           > 68 66 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002543E7F5830, 16 bytes long.
 Data: <@f >T           > 40 66 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002543E7F5420, 16 bytes long.
 Data: < f >T           > 18 66 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002543E7F5740, 16 bytes long.
 Data: <&#240;e >T           > F0 65 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002543E7F4D00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002543E7F5F60, 16 bytes long.
 Data: <&#184; ~>T           > B8 90 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002543E7F05B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002543E7F5C90, 16 bytes long.
 Data: <  ~>T           > 90 90 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002543E7F5EC0, 16 bytes long.
 Data: <h ~>T           > 68 90 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002543E7F5BF0, 16 bytes long.
 Data: <@ ~>T           > 40 90 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002543E7F5C40, 16 bytes long.
 Data: <  ~>T           > 18 90 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002543E7F5BA0, 16 bytes long.
 Data: <&#240; ~>T           > F0 8F 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002543E7F5B50, 16 bytes long.
 Data: <&#200; ~>T           > C8 8F 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002543E7EFD70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002543E7F57E0, 16 bytes long.
 Data: <&#160; ~>T           > A0 8F 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002543E7E8FA0, 320 bytes long.
 Data: <&#224;W >T   p&#253;~>T   > E0 57 7F 3E 54 02 00 00 70 FD 7E 3E 54 02 00 00 
{276} normal block at 0x000002543E7F58D0, 16 bytes long.
 Data: <&#208;e >T           > D0 65 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002543E7F6320, 16 bytes long.
 Data: <&#168;e >T           > A8 65 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002543E7F00D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002543E7F5E70, 16 bytes long.
 Data: < e >T           > 80 65 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002543E7F0070, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002543E7F5B00, 16 bytes long.
 Data: <&#200;d >T           > C8 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002543E7F5AB0, 16 bytes long.
 Data: <&#160;d >T           > A0 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002543E7F5E20, 16 bytes long.
 Data: <xd >T           > 78 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002543E7F6000, 16 bytes long.
 Data: <Pd >T           > 50 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002543E7F5A10, 16 bytes long.
 Data: <(d >T           > 28 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002543E7F5970, 16 bytes long.
 Data: < d >T           > 00 64 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002543E7F6190, 16 bytes long.
 Data: <pM >T           > 70 4D 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002543E7F4D70, 40 bytes long.
 Data: < a >T   &#192;G >T   > 90 61 7F 3E 54 02 00 00 C0 47 7F 3E 54 02 00 00 
{262} normal block at 0x000002543E7F5A60, 16 bytes long.
 Data: <&#224;c >T           > E0 63 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002543E7F6280, 16 bytes long.
 Data: <&#184;c >T           > B8 63 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002543E7EF9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002543E7F56F0, 16 bytes long.
 Data: < c >T           > 90 63 7F 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002543E7F6390, 992 bytes long.
 Data: <&#240;V >T   &#176;&#249;~>T   > F0 56 7F 3E 54 02 00 00 B0 F9 7E 3E 54 02 00 00 
{94} normal block at 0x000002543E7F0370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002543E7EF4B0, 16 bytes long.
 Data: < &#230;~>T           > 80 E6 7E 3E 54 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002543E7EE680, 40 bytes long.
 Data: <&#176;&#244;~>T   p  >T   > B0 F4 7E 3E 54 02 00 00 70 03 7F 3E 54 02 00 00 
{71} normal block at 0x000002543E7EF000, 16 bytes long.
 Data: < &#234;&#215;>&#246;           > 80 EA D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002543E7EEAB0, 16 bytes long.
 Data: <@&#233;&#215;>&#246;           > 40 E9 D7 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002543E7EED80, 16 bytes long.
 Data: <&#248;W&#212;>&#246;           > F8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002543E7EF640, 16 bytes long.
 Data: <&#216;W&#212;>&#246;           > D8 57 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002543E7EEB50, 16 bytes long.
 Data: <P &#212;>&#246;           > 50 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002543E7EEC40, 16 bytes long.
 Data: <0 &#212;>&#246;           > 30 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002543E7EEFB0, 16 bytes long.
 Data: <&#224; &#212;>&#246;           > E0 02 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002543E7EEF10, 16 bytes long.
 Data: <  &#212;>&#246;           > 10 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002543E7EF410, 16 bytes long.
 Data: <p &#212;>&#246;           > 70 04 D4 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002543E7EEF60, 16 bytes long.
 Data: < &#192;&#210;>&#246;           > 18 C0 D2 3E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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