Task 38681643

Name test_207-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4008_0
Workunit 31623303
Created 27 Oct 2026, 4:46:30 UTC
Sent 27 Oct 2026, 4:46:35 UTC
Report deadline 1 Nov 2026, 4:46:35 UTC
Received 27 Oct 2026, 5:51:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 33 sec
CPU time 29 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.21 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:20:02 (33328): wrapper (7.9.26016): starting
00:20:02 (33328): 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
00:20:04 (33328): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:20:04 (33328): 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\14\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\14\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
00:51:18 (33328): C:/Windows/system32/cmd.exe exited; CPU time 1788.078125
00:51:18 (33328): 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: 42562049 bytes.
Dumping objects ->
{3835265} normal block at 0x00000234727CD810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000023470A64880, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000023470A64810, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000023470A64650, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000023470A64D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000023472819280, 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) : {3835177} normal block at 0x0000023470A5EE90, 8 bytes long.
 Data: <  	q4   > 00 00 09 71 34 02 00 00 
{3833963} normal block at 0x0000023470A5EB20, 8 bytes long.
 Data: < 9&#135;r4   > 80 39 87 72 34 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023470A60870, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023470A57330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000023470A65A30, 16 bytes long.
 Data: <He&#166;p4           > 48 65 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023470A65530, 16 bytes long.
 Data: < e&#166;p4           > 20 65 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023470A5F960, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000023470A65EE0, 16 bytes long.
 Data: <&#248;d&#166;p4           > F8 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023470A65DF0, 16 bytes long.
 Data: <&#208;d&#166;p4           > D0 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023470A65A80, 16 bytes long.
 Data: <&#168;d&#166;p4           > A8 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023470A65DA0, 16 bytes long.
 Data: < d&#166;p4           > 80 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023470A64B20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000023470A654E0, 16 bytes long.
 Data: < &#142;&#165;p4           > 08 8E A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023470A5F780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000023470A65990, 16 bytes long.
 Data: <&#224; &#165;p4           > E0 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023470A66110, 16 bytes long.
 Data: <&#184; &#165;p4           > B8 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023470A65BC0, 16 bytes long.
 Data: <  &#165;p4           > 90 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023470A65940, 16 bytes long.
 Data: <h &#165;p4           > 68 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023470A65620, 16 bytes long.
 Data: <@ &#165;p4           > 40 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023470A658F0, 16 bytes long.
 Data: <  &#165;p4           > 18 8D A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023470A5FFC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000023470A65710, 16 bytes long.
 Data: <&#240;&#140;&#165;p4           > F0 8C A5 70 34 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023470A58CF0, 320 bytes long.
 Data: < W&#166;p4   &#192;&#255;&#165;p4   > 10 57 A6 70 34 02 00 00 C0 FF A5 70 34 02 00 00 
{277} normal block at 0x0000023470A65B70, 16 bytes long.
 Data: <`d&#166;p4           > 60 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023470A65440, 16 bytes long.
 Data: <8d&#166;p4           > 38 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023470A60320, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000023470A660C0, 16 bytes long.
 Data: < d&#166;p4           > 10 64 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023470A5F720, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000023470A65490, 16 bytes long.
 Data: <Xc&#166;p4           > 58 63 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023470A653F0, 16 bytes long.
 Data: <0c&#166;p4           > 30 63 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023470A65B20, 16 bytes long.
 Data: < c&#166;p4           > 08 63 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023470A653A0, 16 bytes long.
 Data: <&#224;b&#166;p4           > E0 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023470A65800, 16 bytes long.
 Data: <&#184;b&#166;p4           > B8 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023470A658A0, 16 bytes long.
 Data: < b&#166;p4           > 90 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023470A655D0, 16 bytes long.
 Data: < K&#166;p4           > 90 4B A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023470A64B90, 40 bytes long.
 Data: <&#208;U&#166;p4    &#146; r4   > D0 55 A6 70 34 02 00 00 80 92 81 72 34 02 00 00 
{263} normal block at 0x0000023470A65580, 16 bytes long.
 Data: <pb&#166;p4           > 70 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023470A65E90, 16 bytes long.
 Data: <Hb&#166;p4           > 48 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023470A5FA20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000023470A65260, 16 bytes long.
 Data: < b&#166;p4           > 20 62 A6 70 34 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023470A66220, 992 bytes long.
 Data: <`R&#166;p4    &#250;&#165;p4   > 60 52 A6 70 34 02 00 00 20 FA A5 70 34 02 00 00 
{95} normal block at 0x0000023470A60080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000023470A5EF30, 16 bytes long.
 Data: < &#221;&#164;p4           > 90 DD A4 70 34 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023470A4DD90, 40 bytes long.
 Data: <0&#239;&#165;p4     &#166;p4   > 30 EF A5 70 34 02 00 00 80 00 A6 70 34 02 00 00 
{72} normal block at 0x0000023470A5F2A0, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023470A5EFD0, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023470A5F250, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023470A5F200, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023470A5E990, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023470A5E710, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023470A5ED50, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023470A5EAD0, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023470A5F570, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023470A5EF80, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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