Task 38672821

Name test_743-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND0875_0
Workunit 31614936
Created 26 Oct 2026, 0:34:25 UTC
Sent 26 Oct 2026, 0:34:30 UTC
Report deadline 31 Oct 2026, 0:34:30 UTC
Received 26 Oct 2026, 0:56:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 21 min 25 sec
CPU time 17 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.09 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:35:31 (40540): wrapper (7.9.26016): starting
01:35:31 (40540): 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
01:35:32 (40540): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:35:32 (40540): 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\34\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\34\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
01:56:12 (40540): C:/Windows/system32/cmd.exe exited; CPU time 1054.921875
01:56:12 (40540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 32175747 bytes.
Dumping objects ->
{3835618} normal block at 0x0000014237F9C890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x0000014237F9CB30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x00000142361847D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x0000014236184DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x00000142361848B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x0000014237FEAB70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000014237FFEBE0, 102 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) : {3835529} normal block at 0x000001423617EBE0, 8 bytes long.
 Data: <  m6B   > 00 00 6D 36 42 01 00 00 
{3834721} normal block at 0x0000014237FFE7C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001423617EB40, 8 bytes long.
 Data: < 3 8B   > 20 33 04 38 42 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000014236181600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000014236176810, 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 0x0000014236185750, 16 bytes long.
 Data: < h 6B           > 08 68 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000142361860B0, 16 bytes long.
 Data: <&#224;g 6B           > E0 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001423617F8F0, 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 0x0000014236185700, 16 bytes long.
 Data: <&#184;g 6B           > B8 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000014236185520, 16 bytes long.
 Data: < g 6B           > 90 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000014236185840, 16 bytes long.
 Data: <hg 6B           > 68 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000014236185E30, 16 bytes long.
 Data: <@g 6B           > 40 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000014236184B50, 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 0x0000014236185A20, 16 bytes long.
 Data: < &#181; 6B           > 88 B5 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001423617FEF0, 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 0x0000014236185A70, 16 bytes long.
 Data: <`&#181; 6B           > 60 B5 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000014236185DE0, 16 bytes long.
 Data: <8&#181; 6B           > 38 B5 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000014236186150, 16 bytes long.
 Data: < &#181; 6B           > 10 B5 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000142361856B0, 16 bytes long.
 Data: <&#232;&#180; 6B           > E8 B4 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000014236185CF0, 16 bytes long.
 Data: <&#192;&#180; 6B           > C0 B4 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000014236186240, 16 bytes long.
 Data: < &#180; 6B           > 98 B4 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001423617F830, 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 0x00000142361857F0, 16 bytes long.
 Data: <p&#180; 6B           > 70 B4 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001423616B470, 320 bytes long.
 Data: <&#240;W 6B   0&#248; 6B   > F0 57 18 36 42 01 00 00 30 F8 17 36 42 01 00 00 
{277} normal block at 0x0000014236185CA0, 16 bytes long.
 Data: < g 6B           > 20 67 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000014236185D90, 16 bytes long.
 Data: <&#248;f 6B           > F8 66 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001423617FD10, 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 0x0000014236185930, 16 bytes long.
 Data: <&#208;f 6B           > D0 66 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001423617FE30, 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 0x0000014236185C50, 16 bytes long.
 Data: < f 6B           > 18 66 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000014236185C00, 16 bytes long.
 Data: <&#240;e 6B           > F0 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000014236186100, 16 bytes long.
 Data: <&#200;e 6B           > C8 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000014236185660, 16 bytes long.
 Data: <&#160;e 6B           > A0 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000014236185BB0, 16 bytes long.
 Data: <xe 6B           > 78 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000142361861F0, 16 bytes long.
 Data: <Pe 6B           > 50 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000014236185610, 16 bytes long.
 Data: < I 6B           > 20 49 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000014236184920, 40 bytes long.
 Data: < V 6B   p&#171;&#254;7B   > 10 56 18 36 42 01 00 00 70 AB FE 37 42 01 00 00 
{263} normal block at 0x00000142361862E0, 16 bytes long.
 Data: <0e 6B           > 30 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000014236185F70, 16 bytes long.
 Data: < e 6B           > 08 65 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000014236180670, 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 0x0000014236185B60, 16 bytes long.
 Data: <&#224;d 6B           > E0 64 18 36 42 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000142361864E0, 992 bytes long.
 Data: <`[ 6B   p  6B   > 60 5B 18 36 42 01 00 00 70 06 18 36 42 01 00 00 
{95} normal block at 0x000001423617FA10, 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 0x000001423617E870, 16 bytes long.
 Data: < &#239; 6B           > 20 EF 16 36 42 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001423616EF20, 40 bytes long.
 Data: <p&#232; 6B    &#250; 6B   > 70 E8 17 36 42 01 00 00 10 FA 17 36 42 01 00 00 
{72} normal block at 0x000001423617EEB0, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001423617F0E0, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001423617F090, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001423617F2C0, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001423617EB90, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001423617F310, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001423617F040, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001423617EC30, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001423617EAF0, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001423617EFA0, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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