Task 38675490

Name test_319-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND7609_0
Workunit 31617461
Created 26 Oct 2026, 8:26:36 UTC
Sent 26 Oct 2026, 8:26:42 UTC
Report deadline 31 Oct 2026, 8:26:42 UTC
Received 26 Oct 2026, 9:07:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 633950
Run time 24 min 37 sec
CPU time 17 min 14 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 720.33 MB
Peak swap size 11.50 GB
Peak disk usage 3.87 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:44:11 (38652): wrapper (7.9.26016): starting
09:44:11 (38652): 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
09:44:13 (38652): Library/usr/bin/tar.exe exited; CPU time 0.171875
09:44:13 (38652): 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\2\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\2\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
10:07:18 (38652): C:/Windows/system32/cmd.exe exited; CPU time 1034.046875
10:07:18 (38652): 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: 25765687 bytes.
Dumping objects ->
{3835463} normal block at 0x0000026937AFC890, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835452} normal block at 0x0000026935DA4D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x0000026935DA4C20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835430} normal block at 0x0000026935DA4B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835419} normal block at 0x0000026935DA4910, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835388} normal block at 0x0000026937B4B970, 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) : {3835374} normal block at 0x0000026935D9ECA0, 8 bytes long.
 Data: <   6i   > 00 00 18 36 69 02 00 00 
{3833961} normal block at 0x0000026935D9EC00, 8 bytes long.
 Data: < 3&#186;7i   > 20 33 BA 37 69 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026935DA1670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026935D96D10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000026935DA6060, 16 bytes long.
 Data: < h&#218;5i           > 08 68 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026935DA5F20, 16 bytes long.
 Data: <&#224;g&#218;5i           > E0 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026935DA0580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000026935DA5ED0, 16 bytes long.
 Data: <&#184;g&#218;5i           > B8 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026935DA5A20, 16 bytes long.
 Data: < g&#218;5i           > 90 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026935DA63D0, 16 bytes long.
 Data: <hg&#218;5i           > 68 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026935DA5E80, 16 bytes long.
 Data: <@g&#218;5i           > 40 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026935DA49F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000026935DA61F0, 16 bytes long.
 Data: < &#244;&#216;5i           > 98 F4 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026935D9FBC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000026935DA5980, 16 bytes long.
 Data: <p&#244;&#216;5i           > 70 F4 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026935DA5840, 16 bytes long.
 Data: <H&#244;&#216;5i           > 48 F4 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026935DA5E30, 16 bytes long.
 Data: < &#244;&#216;5i           > 20 F4 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026935DA6010, 16 bytes long.
 Data: <&#248;&#243;&#216;5i           > F8 F3 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026935DA5D90, 16 bytes long.
 Data: <&#208;&#243;&#216;5i           > D0 F3 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026935DA5D40, 16 bytes long.
 Data: <&#168;&#243;&#216;5i           > A8 F3 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026935DA06A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000026935DA5FC0, 16 bytes long.
 Data: < &#243;&#216;5i           > 80 F3 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026935D8F380, 320 bytes long.
 Data: <&#192;_&#218;5i   &#160; &#218;5i   > C0 5F DA 35 69 02 00 00 A0 06 DA 35 69 02 00 00 
{276} normal block at 0x0000026935DA5CF0, 16 bytes long.
 Data: < g&#218;5i           > 20 67 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026935DA5BB0, 16 bytes long.
 Data: <&#248;f&#218;5i           > F8 66 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026935DA0520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000026935DA58E0, 16 bytes long.
 Data: <&#208;f&#218;5i           > D0 66 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026935D9FAA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000026935DA57A0, 16 bytes long.
 Data: < f&#218;5i           > 18 66 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026935DA5C50, 16 bytes long.
 Data: <&#240;e&#218;5i           > F0 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026935DA5DE0, 16 bytes long.
 Data: <&#200;e&#218;5i           > C8 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026935DA61A0, 16 bytes long.
 Data: <&#160;e&#218;5i           > A0 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026935DA5B10, 16 bytes long.
 Data: <xe&#218;5i           > 78 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026935DA5890, 16 bytes long.
 Data: <Pe&#218;5i           > 50 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026935DA55C0, 16 bytes long.
 Data: <0O&#218;5i           > 30 4F DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026935DA4F30, 40 bytes long.
 Data: <&#192;U&#218;5i   p&#185;&#180;7i   > C0 55 DA 35 69 02 00 00 70 B9 B4 37 69 02 00 00 
{262} normal block at 0x0000026935DA6290, 16 bytes long.
 Data: <0e&#218;5i           > 30 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026935DA5C00, 16 bytes long.
 Data: < e&#218;5i           > 08 65 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026935D9FC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000026935DA5B60, 16 bytes long.
 Data: <&#224;d&#218;5i           > E0 64 DA 35 69 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026935DA64E0, 992 bytes long.
 Data: <`[&#218;5i    &#252;&#217;5i   > 60 5B DA 35 69 02 00 00 80 FC D9 35 69 02 00 00 
{94} normal block at 0x0000026935DA0640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000026935D9F3D0, 16 bytes long.
 Data: <0&#225;&#216;5i           > 30 E1 D8 35 69 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000026935D8E130, 40 bytes long.
 Data: <&#208;&#243;&#217;5i   @ &#218;5i   > D0 F3 D9 35 69 02 00 00 40 06 DA 35 69 02 00 00 
{71} normal block at 0x0000026935D9EB10, 16 bytes long.
 Data: < &#234;&#204;t&#246;           > 80 EA CC 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026935D9EED0, 16 bytes long.
 Data: <@&#233;&#204;t&#246;           > 40 E9 CC 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026935D9F1F0, 16 bytes long.
 Data: <&#248;W&#201;t&#246;           > F8 57 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026935D9F150, 16 bytes long.
 Data: <&#216;W&#201;t&#246;           > D8 57 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026935D9F0B0, 16 bytes long.
 Data: <P &#201;t&#246;           > 50 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026935D9F100, 16 bytes long.
 Data: <0 &#201;t&#246;           > 30 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026935D9F880, 16 bytes long.
 Data: <&#224; &#201;t&#246;           > E0 02 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026935D9EAC0, 16 bytes long.
 Data: <  &#201;t&#246;           > 10 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026935D9EFC0, 16 bytes long.
 Data: <p &#201;t&#246;           > 70 04 C9 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026935D9EDE0, 16 bytes long.
 Data: < &#192;&#199;t&#246;           > 18 C0 C7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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