Task 38695821

Name test_655-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9370_0
Workunit 31636497
Created 31 Oct 2026, 15:48:39 UTC
Sent 31 Oct 2026, 15:48:41 UTC
Report deadline 5 Nov 2026, 15:48:41 UTC
Received 31 Oct 2026, 16:51:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623141
Run time 56 min 51 sec
CPU time 53 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,377.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 668.39 MB
Peak swap size 3.70 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:54:53 (28636): wrapper (7.9.26016): starting
17:54:53 (28636): 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
17:54:55 (28636): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:54:55 (28636): 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:\Documents\Fred\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 'D:\Documents\Fred\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
18:50:28 (28636): C:/Windows/system32/cmd.exe exited; CPU time 3205.625000
18:50:28 (28636): called boinc_finish(0)
0 bytes in 0 Free Blocks.
442 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: 53525160 bytes.
Dumping objects ->
{3835240} normal block at 0x000001D715713620, 64 bytes long.
 Data: <PATH=D:\Document> 50 41 54 48 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 
{3835229} normal block at 0x000001D713413D90, 48 bytes long.
 Data: <HOME=D:\Document> 48 4F 4D 45 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 
{3835218} normal block at 0x000001D713413CB0, 48 bytes long.
 Data: <TMP=D:\Documents> 54 4D 50 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 73 
{3835207} normal block at 0x000001D713413930, 48 bytes long.
 Data: <TEMP=D:\Document> 54 45 4D 50 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 
{3835196} normal block at 0x000001D713413BD0, 48 bytes long.
 Data: <TMPDIR=D:\Docume> 54 4D 50 44 49 52 3D 44 3A 5C 44 6F 63 75 6D 65 
{3835165} normal block at 0x000001D715713520, 64 bytes long.
 Data: <PATH=D:\Document> 50 41 54 48 3D 44 3A 5C 44 6F 63 75 6D 65 6E 74 
{3835154} normal block at 0x000001D71572AA40, 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) : {3835151} normal block at 0x000001D713409A00, 8 bytes long.
 Data: <  d &#215;   > 00 00 64 13 D7 01 00 00 
{3834546} normal block at 0x000001D71572BBC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001D713409AA0, 8 bytes long.
 Data: <&#192; C &#215;   > C0 99 43 13 D7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D7134055C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D71340F710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001D713414C50, 16 bytes long.
 Data: <&#184;WA &#215;           > B8 57 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D7134149D0, 16 bytes long.
 Data: < WA &#215;           > 90 57 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D71340FC40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001D7134152E0, 16 bytes long.
 Data: <hWA &#215;           > 68 57 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D713415240, 16 bytes long.
 Data: <@WA &#215;           > 40 57 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D713414ED0, 16 bytes long.
 Data: < WA &#215;           > 18 57 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D713414E80, 16 bytes long.
 Data: <&#240;VA &#215;           > F0 56 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D713413A80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001D713415420, 16 bytes long.
 Data: <&#248;&#235;? &#215;           > F8 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D713410600, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001D713414FC0, 16 bytes long.
 Data: <&#208;&#235;? &#215;           > D0 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D7134151F0, 16 bytes long.
 Data: <&#168;&#235;? &#215;           > A8 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D713415290, 16 bytes long.
 Data: < &#235;? &#215;           > 80 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D713414CA0, 16 bytes long.
 Data: <X&#235;? &#215;           > 58 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D7134151A0, 16 bytes long.
 Data: <0&#235;? &#215;           > 30 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D713414660, 16 bytes long.
 Data: < &#235;? &#215;           > 08 EB 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D713410480, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x000001D713415150, 16 bytes long.
 Data: <&#224;&#234;? &#215;           > E0 EA 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D7133FEAE0, 320 bytes long.
 Data: <PQA &#215;     A &#215;   > 50 51 41 13 D7 01 00 00 80 04 41 13 D7 01 00 00 
{274} normal block at 0x000001D713415060, 16 bytes long.
 Data: <&#208;VA &#215;           > D0 56 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D713414C00, 16 bytes long.
 Data: <&#168;VA &#215;           > A8 56 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D7134108A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001D713415100, 16 bytes long.
 Data: < VA &#215;           > 80 56 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D71340FD00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001D713414570, 16 bytes long.
 Data: <&#200;UA &#215;           > C8 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D713414980, 16 bytes long.
 Data: <&#160;UA &#215;           > A0 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D713414BB0, 16 bytes long.
 Data: <xUA &#215;           > 78 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D713414890, 16 bytes long.
 Data: <PUA &#215;           > 50 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D713414B60, 16 bytes long.
 Data: <(UA &#215;           > 28 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D7134148E0, 16 bytes long.
 Data: < UA &#215;           > 00 55 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D7134147F0, 16 bytes long.
 Data: < :A &#215;           > 10 3A 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D713413A10, 40 bytes long.
 Data: <&#240;GA &#215;    5q &#215;   > F0 47 41 13 D7 01 00 00 20 35 71 15 D7 01 00 00 
{260} normal block at 0x000001D713414840, 16 bytes long.
 Data: <&#224;TA &#215;           > E0 54 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D7134153D0, 16 bytes long.
 Data: <&#184;TA &#215;           > B8 54 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D7134106C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001D713415010, 16 bytes long.
 Data: < TA &#215;           > 90 54 41 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D713415490, 992 bytes long.
 Data: < PA &#215;   &#192; A &#215;   > 10 50 41 13 D7 01 00 00 C0 06 41 13 D7 01 00 00 
{92} normal block at 0x000001D713410840, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001D713409C30, 16 bytes long.
 Data: <0&#239;? &#215;           > 30 EF 3F 13 D7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001D7133FEF30, 40 bytes long.
 Data: <0&#156;@ &#215;   @ A &#215;   > 30 9C 40 13 D7 01 00 00 40 08 41 13 D7 01 00 00 
{69} normal block at 0x000001D71340A3B0, 16 bytes long.
 Data: < &#234;&#242;_&#246;           > 80 EA F2 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D71340A220, 16 bytes long.
 Data: <@&#233;&#242;_&#246;           > 40 E9 F2 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D713409FF0, 16 bytes long.
 Data: <&#248;W&#239;_&#246;           > F8 57 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D713409460, 16 bytes long.
 Data: <&#216;W&#239;_&#246;           > D8 57 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D713409640, 16 bytes long.
 Data: <P &#239;_&#246;           > 50 04 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D7134095F0, 16 bytes long.
 Data: <0 &#239;_&#246;           > 30 04 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D713409960, 16 bytes long.
 Data: <&#224; &#239;_&#246;           > E0 02 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D713409910, 16 bytes long.
 Data: <  &#239;_&#246;           > 10 04 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D7134097D0, 16 bytes long.
 Data: <p &#239;_&#246;           > 70 04 EF 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D71340A2C0, 16 bytes long.
 Data: < &#192;&#237;_&#246;           > 18 C0 ED 5F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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