Task 38658265

Name test_393-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2509_0
Workunit 31601856
Created 24 Oct 2026, 12:29:20 UTC
Sent 24 Oct 2026, 12:36:38 UTC
Report deadline 29 Oct 2026, 12:36:38 UTC
Received 24 Oct 2026, 13:34:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 42 min 21 sec
CPU time 42 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.05 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:48:47 (28576): wrapper (7.9.26016): starting
13:48:47 (28576): 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
13:48:49 (28576): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:48:49 (28576): 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
14:33:31 (28576): C:/Windows/system32/cmd.exe exited; CPU time 2541.796875
14:33:31 (28576): 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: 54369415 bytes.
Dumping objects ->
{3835612} normal block at 0x0000018D86A5FB90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x0000018D86A5FFF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000018D86A5FE30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x0000018D84F148C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x0000018D84F14D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x0000018D86AD5780, 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) : {3835524} normal block at 0x0000018D84F0F4D0, 8 bytes long.
 Data: <  &#234;&#132;    > 00 00 EA 84 8D 01 00 00 
{3833967} normal block at 0x0000018D84F0EC60, 8 bytes long.
 Data: <&#224;G&#179;&#134;    > E0 47 B3 86 8D 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018D84F11400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018D84F06520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000018D84F15DA0, 16 bytes long.
 Data: <&#216;f&#241;&#132;            > D8 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018D84F153F0, 16 bytes long.
 Data: <&#176;f&#241;&#132;            > B0 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018D84F0FA90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000018D84F15670, 16 bytes long.
 Data: < f&#241;&#132;            > 88 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018D84F16340, 16 bytes long.
 Data: <`f&#241;&#132;            > 60 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018D84F15D50, 16 bytes long.
 Data: <8f&#241;&#132;            > 38 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018D84F15800, 16 bytes long.
 Data: < f&#241;&#132;            > 10 66 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018D84F14850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000018D84F15D00, 16 bytes long.
 Data: <(&#233;&#239;&#132;            > 28 E9 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018D84F0FC10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000018D84F16200, 16 bytes long.
 Data: < &#233;&#239;&#132;            > 00 E9 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018D84F15CB0, 16 bytes long.
 Data: <&#216;&#232;&#239;&#132;            > D8 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018D84F15BC0, 16 bytes long.
 Data: <&#176;&#232;&#239;&#132;            > B0 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018D84F161B0, 16 bytes long.
 Data: < &#232;&#239;&#132;            > 88 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018D84F15530, 16 bytes long.
 Data: <`&#232;&#239;&#132;            > 60 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018D84F15710, 16 bytes long.
 Data: <8&#232;&#239;&#132;            > 38 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018D84F0FD90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000018D84F162F0, 16 bytes long.
 Data: < &#232;&#239;&#132;            > 10 E8 EF 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018D84EFE810, 320 bytes long.
 Data: <&#240;b&#241;&#132;     &#253;&#240;&#132;    > F0 62 F1 84 8D 01 00 00 90 FD F0 84 8D 01 00 00 
{279} normal block at 0x0000018D84F16110, 16 bytes long.
 Data: <&#240;e&#241;&#132;            > F0 65 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018D84F15B70, 16 bytes long.
 Data: <&#200;e&#241;&#132;            > C8 65 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018D84F0F910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000018D84F160C0, 16 bytes long.
 Data: <&#160;e&#241;&#132;            > A0 65 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018D84F105D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000018D84F162A0, 16 bytes long.
 Data: <&#232;d&#241;&#132;            > E8 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018D84F15F80, 16 bytes long.
 Data: <&#192;d&#241;&#132;            > C0 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018D84F15C10, 16 bytes long.
 Data: < d&#241;&#132;            > 98 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018D84F15E90, 16 bytes long.
 Data: <pd&#241;&#132;            > 70 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018D84F15C60, 16 bytes long.
 Data: <Hd&#241;&#132;            > 48 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018D84F155D0, 16 bytes long.
 Data: < d&#241;&#132;            > 20 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018D84F158A0, 16 bytes long.
 Data: <&#208;K&#241;&#132;            > D0 4B F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018D84F14BD0, 40 bytes long.
 Data: <&#160;X&#241;&#132;     W&#173;&#134;    > A0 58 F1 84 8D 01 00 00 80 57 AD 86 8D 01 00 00 
{265} normal block at 0x0000018D84F16160, 16 bytes long.
 Data: < d&#241;&#132;            > 00 64 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018D84F15940, 16 bytes long.
 Data: <&#216;c&#241;&#132;            > D8 63 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018D84F0F8B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000018D84F158F0, 16 bytes long.
 Data: <&#176;c&#241;&#132;            > B0 63 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018D84F163B0, 992 bytes long.
 Data: <&#240;X&#241;&#132;    &#176;&#248;&#240;&#132;    > F0 58 F1 84 8D 01 00 00 B0 F8 F0 84 8D 01 00 00 
{97} normal block at 0x0000018D84F0FD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000018D84F0F7F0, 16 bytes long.
 Data: <0I&#241;&#132;            > 30 49 F1 84 8D 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000018D84F14930, 40 bytes long.
 Data: <&#240;&#247;&#240;&#132;    0&#253;&#240;&#132;    > F0 F7 F0 84 8D 01 00 00 30 FD F0 84 8D 01 00 00 
{74} normal block at 0x0000018D84F0EBC0, 16 bytes long.
 Data: < &#234;&#164;%&#246;           > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018D84F0F250, 16 bytes long.
 Data: <@&#233;&#164;%&#246;           > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018D84F0EC10, 16 bytes long.
 Data: <&#248;W&#161;%&#246;           > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018D84F0EAD0, 16 bytes long.
 Data: <&#216;W&#161;%&#246;           > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018D84F0EA80, 16 bytes long.
 Data: <P &#161;%&#246;           > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018D84F0F5C0, 16 bytes long.
 Data: <0 &#161;%&#246;           > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018D84F0F2F0, 16 bytes long.
 Data: <&#224; &#161;%&#246;           > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018D84F0F6B0, 16 bytes long.
 Data: <  &#161;%&#246;           > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018D84F0EA30, 16 bytes long.
 Data: <p &#161;%&#246;           > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018D84F0F110, 16 bytes long.
 Data: < &#192;&#159;%&#246;           > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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