Task 38682022

Name test_653-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7713_0
Workunit 31623659
Created 27 Oct 2026, 6:16:36 UTC
Sent 27 Oct 2026, 6:16:40 UTC
Report deadline 1 Nov 2026, 6:16:40 UTC
Received 27 Oct 2026, 10:35:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 5 sec
CPU time 1 hours 3 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.14 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
02:31:39 (6116): wrapper (7.9.26016): starting
02:31:39 (6116): 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
02:31:42 (6116): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:31:42 (6116): 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\26\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\26\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
03:34:35 (6116): C:/Windows/system32/cmd.exe exited; CPU time 3822.859375
03:34:35 (6116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 53696190 bytes.
Dumping objects ->
{3835270} normal block at 0x000002BF0F020F00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000002BF0F021520, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000002BF0F020FE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000002BF0F020AA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002BF0F020E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000002BF0F0CC890, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002BF0F0CDD80, 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) : {3835181} normal block at 0x000002BF0D3B79F0, 8 bytes long.
 Data: <  6 &#191;   > 00 00 36 0D BF 02 00 00 
{3834558} normal block at 0x000002BF0F0CDCE0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002BF0D3B7400, 8 bytes long.
 Data: <&#160;   &#191;   > A0 8D 0B 0F BF 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002BF0D3C1730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BF0D3C2670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002BF0D3C27C0, 16 bytes long.
 Data: < L< &#191;           > 18 4C 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BF0D3C2BD0, 16 bytes long.
 Data: <&#240;K< &#191;           > F0 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BF0D3BE020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002BF0D3C2AE0, 16 bytes long.
 Data: <&#200;K< &#191;           > C8 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BF0D3C35D0, 16 bytes long.
 Data: <&#160;K< &#191;           > A0 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BF0D3C2DB0, 16 bytes long.
 Data: <xK< &#191;           > 78 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BF0D3C36C0, 16 bytes long.
 Data: <PK< &#191;           > 50 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BF0D3BBBA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002BF0D3C30D0, 16 bytes long.
 Data: < &< &#191;           > 08 26 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BF0D3BDFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002BF0D3C2A90, 16 bytes long.
 Data: <&#224;%< &#191;           > E0 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BF0D3C29F0, 16 bytes long.
 Data: <&#184;%< &#191;           > B8 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BF0D3C3120, 16 bytes long.
 Data: < %< &#191;           > 90 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BF0D3C3580, 16 bytes long.
 Data: <h%< &#191;           > 68 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BF0D3C2C70, 16 bytes long.
 Data: <@%< &#191;           > 40 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BF0D3C3030, 16 bytes long.
 Data: < %< &#191;           > 18 25 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BF0D3BDF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002BF0D3C2D60, 16 bytes long.
 Data: <&#240;$< &#191;           > F0 24 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BF0D3C24F0, 320 bytes long.
 Data: <`-< &#191;   `&#223;; &#191;   > 60 2D 3C 0D BF 02 00 00 60 DF 3B 0D BF 02 00 00 
{271} normal block at 0x000002BF0D3C2B30, 16 bytes long.
 Data: <0K< &#191;           > 30 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BF0D3C2810, 16 bytes long.
 Data: < K< &#191;           > 08 4B 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BF0D3BD840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002BF0D3C3350, 16 bytes long.
 Data: <&#224;J< &#191;           > E0 4A 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BF0D3BE140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002BF0D3C2EF0, 16 bytes long.
 Data: <(J< &#191;           > 28 4A 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BF0D3C2B80, 16 bytes long.
 Data: < J< &#191;           > 00 4A 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BF0D3C2770, 16 bytes long.
 Data: <&#216;I< &#191;           > D8 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BF0D3C33F0, 16 bytes long.
 Data: <&#176;I< &#191;           > B0 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BF0D3C3170, 16 bytes long.
 Data: < I< &#191;           > 88 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BF0D3C2D10, 16 bytes long.
 Data: <`I< &#191;           > 60 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BF0D3C3080, 16 bytes long.
 Data: <&#160;&#194;; &#191;           > A0 C2 3B 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BF0D3BC2A0, 40 bytes long.
 Data: < 0< &#191;    &#200;  &#191;   > 80 30 3C 0D BF 02 00 00 90 C8 0C 0F BF 02 00 00 
{257} normal block at 0x000002BF0D3C29A0, 16 bytes long.
 Data: <@I< &#191;           > 40 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BF0D3C3620, 16 bytes long.
 Data: < I< &#191;           > 18 49 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BF0D3BDAE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002BF0D3C34E0, 16 bytes long.
 Data: <&#240;H< &#191;           > F0 48 3C 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002BF0D3C48F0, 992 bytes long.
 Data: <&#224;4< &#191;   &#224;&#218;; &#191;   > E0 34 3C 0D BF 02 00 00 E0 DA 3B 0D BF 02 00 00 
{89} normal block at 0x000002BF0D3BE1A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002BF0D3B6F00, 16 bytes long.
 Data: <&#208;&#189;; &#191;           > D0 BD 3B 0D BF 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002BF0D3BBDD0, 40 bytes long.
 Data: < o; &#191;   &#160;&#225;; &#191;   > 00 6F 3B 0D BF 02 00 00 A0 E1 3B 0D BF 02 00 00 
{66} normal block at 0x000002BF0D3B7A40, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BF0D3B6E10, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BF0D3B7630, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BF0D3B74A0, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BF0D3B7950, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BF0D3B7310, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BF0D3B72C0, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BF0D3B7810, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BF0D3B73B0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BF0D3B7360, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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