Task 38679703

Name	test_706-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2434_0
Workunit	31621467
Created	26 Oct 2026, 21:27:58 UTC
Sent	26 Oct 2026, 21:28:06 UTC
Report deadline	31 Oct 2026, 21:28:06 UTC
Received	26 Oct 2026, 22:33:52 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	649737
Run time	1 hours 3 min 12 sec
CPU time	1 hours 0 min 44 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	4,635.92 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	670.80 MB
Peak swap size	3.71 GB
Peak disk usage	3.03 GB
Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
10:30:39 (25504): wrapper (7.9.26016): starting
10:30:39 (25504): 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
10:30:41 (25504): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:30:41 (25504): 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\4\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\4\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
11:32:33 (25504): C:/Windows/system32/cmd.exe exited; CPU time 3644.781250
11:32:33 (25504): 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: 61434487 bytes.
Dumping objects ->
{3835297} normal block at 0x0000027126693830, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x0000027126693670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000271266932F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x0000027124C6CB00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x0000027124C6CE10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x00000271267CCB90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002712682EC90, 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) : {3835208} normal block at 0x0000027124C68AC0, 8 bytes long.
 Data: <  j&q   > 00 00 6A 26 71 02 00 00 
{3834578} normal block at 0x000002712682E3A0, 102 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 0x0000027124C68660, 8 bytes long.
 Data: <0 i&q   > 30 1E 69 26 71 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027124C71600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027124C55CC0, 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 0x0000027124C730E0, 16 bytes long.
 Data: < M&#199;$q           > 88 4D C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027124C734F0, 16 bytes long.
 Data: <`M&#199;$q           > 60 4D C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027124C6ECE0, 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 0x0000027124C72BE0, 16 bytes long.
 Data: <8M&#199;$q           > 38 4D C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027124C73360, 16 bytes long.
 Data: < M&#199;$q           > 10 4D C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027124C73130, 16 bytes long.
 Data: <&#232;L&#199;$q           > E8 4C C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027124C73220, 16 bytes long.
 Data: <&#192;L&#199;$q           > C0 4C C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027124C6CE80, 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 0x0000027124C73040, 16 bytes long.
 Data: <X\&#197;$q           > 58 5C C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027124C6E7A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000027124C72B40, 16 bytes long.
 Data: <0\&#197;$q           > 30 5C C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027124C72CD0, 16 bytes long.
 Data: < \&#197;$q           > 08 5C C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027124C72C30, 16 bytes long.
 Data: <&#224;[&#197;$q           > E0 5B C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027124C72AF0, 16 bytes long.
 Data: <&#184;[&#197;$q           > B8 5B C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027124C72F50, 16 bytes long.
 Data: < [&#197;$q           > 90 5B C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027124C72FF0, 16 bytes long.
 Data: <h[&#197;$q           > 68 5B C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027124C6E8C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000027124C72D20, 16 bytes long.
 Data: <@[&#197;$q           > 40 5B C5 24 71 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027124C55B40, 320 bytes long.
 Data: < -&#199;$q   &#192;&#232;&#198;$q   > 20 2D C7 24 71 02 00 00 C0 E8 C6 24 71 02 00 00 
{271} normal block at 0x0000027124C72E60, 16 bytes long.
 Data: <&#160;L&#199;$q           > A0 4C C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027124C72C80, 16 bytes long.
 Data: <xL&#199;$q           > 78 4C C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027124C6E620, 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 0x0000027124C72A00, 16 bytes long.
 Data: <PL&#199;$q           > 50 4C C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027124C6EC80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000027124C73540, 16 bytes long.
 Data: < K&#199;$q           > 98 4B C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027124C729B0, 16 bytes long.
 Data: <pK&#199;$q           > 70 4B C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027124C73400, 16 bytes long.
 Data: <HK&#199;$q           > 48 4B C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027124C72B90, 16 bytes long.
 Data: < K&#199;$q           > 20 4B C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027124C72D70, 16 bytes long.
 Data: <&#248;J&#199;$q           > F8 4A C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027124C72FA0, 16 bytes long.
 Data: <&#208;J&#199;$q           > D0 4A C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027124C72960, 16 bytes long.
 Data: <&#240;&#206;&#198;$q           > F0 CE C6 24 71 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027124C6CEF0, 40 bytes long.
 Data: <`)&#199;$q    &#203;|&q   > 60 29 C7 24 71 02 00 00 90 CB 7C 26 71 02 00 00 
{257} normal block at 0x0000027124C72820, 16 bytes long.
 Data: <&#176;J&#199;$q           > B0 4A C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027124C72910, 16 bytes long.
 Data: < J&#199;$q           > 88 4A C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027124C6E800, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000027124C72780, 16 bytes long.
 Data: <`J&#199;$q           > 60 4A C7 24 71 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027124C74A60, 992 bytes long.
 Data: < '&#199;$q    &#232;&#198;$q   > 80 27 C7 24 71 02 00 00 00 E8 C6 24 71 02 00 00 
{89} normal block at 0x0000027124C6EB60, 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 0x0000027124C68610, 16 bytes long.
 Data: <&#208;&#207;&#198;$q           > D0 CF C6 24 71 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000027124C6CFD0, 40 bytes long.
 Data: < &#134;&#198;$q   `&#235;&#198;$q   > 10 86 C6 24 71 02 00 00 60 EB C6 24 71 02 00 00 
{66} normal block at 0x0000027124C68160, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027124C67DF0, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027124C686B0, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027124C68020, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027124C680C0, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027124C685C0, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027124C67E90, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027124C689D0, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027124C68980, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027124C68C00, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>