Task 38670563

Name test_26-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND4723_1
Workunit 31612760
Created 25 Oct 2026, 17:55:24 UTC
Sent 25 Oct 2026, 17:55:33 UTC
Report deadline 30 Oct 2026, 17:55:33 UTC
Received 25 Oct 2026, 18:12:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654752
Run time 16 min 8 sec
CPU time 15 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.04 MB
Peak swap size 9.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:56:18 (18400): wrapper (7.9.26016): starting
17:56:18 (18400): 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
17:56:19 (18400): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:56:19 (18400): 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\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 'C:\ProgramData\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
18:11:57 (18400): C:/Windows/system32/cmd.exe exited; CPU time 934.328125
18:11:57 (18400): 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: 15232039 bytes.
Dumping objects ->
{3835548} normal block at 0x000001D0BFD764C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835537} normal block at 0x000001D0BFD75CE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000001D0BFD75960, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835515} normal block at 0x000001D0BE027660, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835504} normal block at 0x000001D0BE027820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835473} normal block at 0x000001D0BFD16410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835462} normal block at 0x000001D0BFD30EC0, 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) : {3835459} normal block at 0x000001D0BE01FB60, 8 bytes long.
 Data: <  &#252;&#189;&#208;   > 00 00 FC BD D0 01 00 00 
{3834684} normal block at 0x000001D0BFD30B50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000001D0BE0201F0, 8 bytes long.
 Data: < k&#218;&#191;&#208;   > 80 6B DA BF D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001D0BE0219A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D0BE017660, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001D0BE0282C0, 16 bytes long.
 Data: <&#216;  &#190;&#208;           > D8 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D0BE028F90, 16 bytes long.
 Data: <&#176;  &#190;&#208;           > B0 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D0BE020F90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001D0BE028EF0, 16 bytes long.
 Data: <   &#190;&#208;           > 88 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D0BE028540, 16 bytes long.
 Data: <`  &#190;&#208;           > 60 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D0BE029080, 16 bytes long.
 Data: <8  &#190;&#208;           > 38 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D0BE0285E0, 16 bytes long.
 Data: <   &#190;&#208;           > 10 80 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D0BE0276D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001D0BE028A40, 16 bytes long.
 Data: <(&#158; &#190;&#208;           > 28 9E 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D0BE020ED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001D0BE028720, 16 bytes long.
 Data: < &#158; &#190;&#208;           > 00 9E 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D0BE029170, 16 bytes long.
 Data: <&#216;  &#190;&#208;           > D8 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D0BE0283B0, 16 bytes long.
 Data: <&#176;  &#190;&#208;           > B0 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D0BE028AE0, 16 bytes long.
 Data: <   &#190;&#208;           > 88 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D0BE0286D0, 16 bytes long.
 Data: <`  &#190;&#208;           > 60 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D0BE0289A0, 16 bytes long.
 Data: <8  &#190;&#208;           > 38 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D0BE021290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001D0BE028E00, 16 bytes long.
 Data: <   &#190;&#208;           > 10 9D 01 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D0BE019D10, 320 bytes long.
 Data: < &#142; &#190;&#208;      &#190;&#208;   > 00 8E 02 BE D0 01 00 00 90 12 02 BE D0 01 00 00 
{275} normal block at 0x000001D0BE0284A0, 16 bytes long.
 Data: <&#240;  &#190;&#208;           > F0 7F 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D0BE0284F0, 16 bytes long.
 Data: <&#200;  &#190;&#208;           > C8 7F 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D0BE020E70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001D0BE028A90, 16 bytes long.
 Data: <&#160;  &#190;&#208;           > A0 7F 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D0BE0214D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001D0BE028590, 16 bytes long.
 Data: <&#232;~ &#190;&#208;           > E8 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D0BE028770, 16 bytes long.
 Data: <&#192;~ &#190;&#208;           > C0 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D0BE028270, 16 bytes long.
 Data: < ~ &#190;&#208;           > 98 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D0BE028F40, 16 bytes long.
 Data: <p~ &#190;&#208;           > 70 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D0BE028DB0, 16 bytes long.
 Data: <H~ &#190;&#208;           > 48 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D0BE01FE30, 16 bytes long.
 Data: < ~ &#190;&#208;           > 20 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D0BE01FDE0, 16 bytes long.
 Data: <&#240;u &#190;&#208;           > F0 75 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D0BE0275F0, 40 bytes long.
 Data: <&#224;&#253; &#190;&#208;    d&#209;&#191;&#208;   > E0 FD 01 BE D0 01 00 00 10 64 D1 BF D0 01 00 00 
{261} normal block at 0x000001D0BE020380, 16 bytes long.
 Data: < ~ &#190;&#208;           > 00 7E 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D0BE01FA70, 16 bytes long.
 Data: <&#216;} &#190;&#208;           > D8 7D 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D0BE0213B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001D0BE01F840, 16 bytes long.
 Data: <&#176;} &#190;&#208;           > B0 7D 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D0BE027DB0, 992 bytes long.
 Data: <@&#248; &#190;&#208;   &#176;  &#190;&#208;   > 40 F8 01 BE D0 01 00 00 B0 13 02 BE D0 01 00 00 
{93} normal block at 0x000001D0BE021470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001D0BE020330, 16 bytes long.
 Data: < | &#190;&#208;           > 80 7C 02 BE D0 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001D0BE027C80, 40 bytes long.
 Data: <0  &#190;&#208;   p  &#190;&#208;   > 30 03 02 BE D0 01 00 00 70 14 02 BE D0 01 00 00 
{70} normal block at 0x000001D0BE01F930, 16 bytes long.
 Data: < &#234;!O&#247;           > 80 EA 21 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D0BE01FC50, 16 bytes long.
 Data: <@&#233;!O&#247;           > 40 E9 21 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D0BE020060, 16 bytes long.
 Data: <&#248;W O&#247;           > F8 57 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D0BE020470, 16 bytes long.
 Data: <&#216;W O&#247;           > D8 57 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D0BE01F6B0, 16 bytes long.
 Data: <P  O&#247;           > 50 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D0BE01FD40, 16 bytes long.
 Data: <0  O&#247;           > 30 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D0BE020010, 16 bytes long.
 Data: <&#224;  O&#247;           > E0 02 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D0BE020240, 16 bytes long.
 Data: <   O&#247;           > 10 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D0BE01F660, 16 bytes long.
 Data: <p  O&#247;           > 70 04 1E 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D0BE01F8E0, 16 bytes long.
 Data: < &#192; O&#247;           > 18 C0 1C 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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