Task 38684032

Name test_488-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2406_0
Workunit 31625561
Created 27 Oct 2026, 14:26:45 UTC
Sent 27 Oct 2026, 14:26:47 UTC
Report deadline 1 Nov 2026, 14:26:47 UTC
Received 27 Oct 2026, 20:46:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623034
Run time 24 min 18 sec
CPU time 23 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.49 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:21:15 (35188): wrapper (7.9.26016): starting
15:21:15 (35188): 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
15:21:16 (35188): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:21:16 (35188): 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\24\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\24\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
15:46:12 (35188): C:/Windows/system32/cmd.exe exited; CPU time 1417.609375
15:46:12 (35188): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 31262019 bytes.
Dumping objects ->
{3835205} normal block at 0x000001A6F85ADA70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001A6F67C4A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001A6F67C4700, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x000001A6F67C4540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001A6F67C4850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x000001A6F85FA730, 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) : {3835117} normal block at 0x000001A6F67BE6F0, 8 bytes long.
 Data: <  &#204;&#246;&#166;   > 00 00 CC F6 A6 01 00 00 
{3833969} normal block at 0x000001A6F67BF190, 8 bytes long.
 Data: <Pfe&#248;&#166;   > 50 66 65 F8 A6 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001A6F67C13E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001A6F67B62F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x000001A6F67C5380, 16 bytes long.
 Data: <8d|&#246;&#166;           > 38 64 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001A6F67C5C40, 16 bytes long.
 Data: < d|&#246;&#166;           > 10 64 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A6F67BF790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x000001A6F67C5B50, 16 bytes long.
 Data: <&#232;c|&#246;&#166;           > E8 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A6F67C5830, 16 bytes long.
 Data: <&#192;c|&#246;&#166;           > C0 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A6F67C5E70, 16 bytes long.
 Data: < c|&#246;&#166;           > 98 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A6F67C5650, 16 bytes long.
 Data: <pc|&#246;&#166;           > 70 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A6F67C4C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x000001A6F67C5240, 16 bytes long.
 Data: <&#200;&#133;{&#246;&#166;           > C8 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A6F67BF730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x000001A6F67C55B0, 16 bytes long.
 Data: <&#160;&#133;{&#246;&#166;           > A0 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A6F67C5F10, 16 bytes long.
 Data: <x&#133;{&#246;&#166;           > 78 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A6F67C51F0, 16 bytes long.
 Data: <P&#133;{&#246;&#166;           > 50 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A6F67C5330, 16 bytes long.
 Data: <(&#133;{&#246;&#166;           > 28 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A6F67C5E20, 16 bytes long.
 Data: < &#133;{&#246;&#166;           > 00 85 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A6F67C5600, 16 bytes long.
 Data: <&#216;&#132;{&#246;&#166;           > D8 84 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A6F67C00F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x000001A6F67C5B00, 16 bytes long.
 Data: <&#176;&#132;{&#246;&#166;           > B0 84 7B F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A6F67B84B0, 320 bytes long.
 Data: < [|&#246;&#166;   &#240; |&#246;&#166;   > 00 5B 7C F6 A6 01 00 00 F0 00 7C F6 A6 01 00 00 
{280} normal block at 0x000001A6F67C51A0, 16 bytes long.
 Data: <Pc|&#246;&#166;           > 50 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A6F67C60A0, 16 bytes long.
 Data: <(c|&#246;&#166;           > 28 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A6F67C0390, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x000001A6F67C5DD0, 16 bytes long.
 Data: < c|&#246;&#166;           > 00 63 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A6F67C02D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x000001A6F67C57E0, 16 bytes long.
 Data: <Hb|&#246;&#166;           > 48 62 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A6F67C6000, 16 bytes long.
 Data: < b|&#246;&#166;           > 20 62 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A6F67C5FB0, 16 bytes long.
 Data: <&#248;a|&#246;&#166;           > F8 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A6F67C5290, 16 bytes long.
 Data: <&#208;a|&#246;&#166;           > D0 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A6F67C5970, 16 bytes long.
 Data: <&#168;a|&#246;&#166;           > A8 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A6F67C5150, 16 bytes long.
 Data: < a|&#246;&#166;           > 80 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A6F67C5420, 16 bytes long.
 Data: <&#224;G|&#246;&#166;           > E0 47 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A6F67C47E0, 40 bytes long.
 Data: < T|&#246;&#166;   0&#167;_&#248;&#166;   > 20 54 7C F6 A6 01 00 00 30 A7 5F F8 A6 01 00 00 
{266} normal block at 0x000001A6F67C5560, 16 bytes long.
 Data: <`a|&#246;&#166;           > 60 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A6F67C5880, 16 bytes long.
 Data: <8a|&#246;&#166;           > 38 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A6F67BFFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x000001A6F67C54C0, 16 bytes long.
 Data: < a|&#246;&#166;           > 10 61 7C F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A6F67C6110, 992 bytes long.
 Data: <&#192;T|&#246;&#166;   &#208;&#255;{&#246;&#166;   > C0 54 7C F6 A6 01 00 00 D0 FF 7B F6 A6 01 00 00 
{98} normal block at 0x000001A6F67C0210, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001A6F67BE600, 16 bytes long.
 Data: <&#160;&#212;z&#246;&#166;           > A0 D4 7A F6 A6 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x000001A6F67AD4A0, 40 bytes long.
 Data: < &#230;{&#246;&#166;     |&#246;&#166;   > 00 E6 7B F6 A6 01 00 00 10 02 7C F6 A6 01 00 00 
{75} normal block at 0x000001A6F67BE6A0, 16 bytes long.
 Data: < &#234;$#&#247;           > 80 EA 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001A6F67BF2D0, 16 bytes long.
 Data: <@&#233;$#&#247;           > 40 E9 24 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001A6F67BEA60, 16 bytes long.
 Data: <&#248;W!#&#247;           > F8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001A6F67BF000, 16 bytes long.
 Data: <&#216;W!#&#247;           > D8 57 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001A6F67BEF60, 16 bytes long.
 Data: <P !#&#247;           > 50 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A6F67BF550, 16 bytes long.
 Data: <0 !#&#247;           > 30 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A6F67BF500, 16 bytes long.
 Data: <&#224; !#&#247;           > E0 02 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A6F67BF280, 16 bytes long.
 Data: <  !#&#247;           > 10 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A6F67BF230, 16 bytes long.
 Data: <p !#&#247;           > 70 04 21 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A6F67BF1E0, 16 bytes long.
 Data: < &#192; #&#247;           > 18 C0 1F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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