Task 38677119

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9807_0
Workunit 31619002
Created 26 Oct 2026, 13:21:08 UTC
Sent 26 Oct 2026, 13:21:10 UTC
Report deadline 31 Oct 2026, 13:21:10 UTC
Received 26 Oct 2026, 15:32:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 33 min 2 sec
CPU time 32 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.80 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:59:31 (23716): wrapper (7.9.26016): starting
09:59:31 (23716): 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
09:59:32 (23716): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:59:32 (23716): 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
10:32:05 (23716): C:/Windows/system32/cmd.exe exited; CPU time 1947.640625
10:32:05 (23716): 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: 29792143 bytes.
Dumping objects ->
{3835546} normal block at 0x000001DDE1B8CD80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001DDDFF14220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001DDDFF13E30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001DDDFF141B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001DDDFF14530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001DDE1BD4E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001DDE1BEDE40, 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) : {3835457} normal block at 0x000001DDDFF0E6C0, 8 bytes long.
 Data: <  1&#224;&#221;   > 00 00 31 E0 DD 01 00 00 
{3834682} normal block at 0x000001DDE1BEE100, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001DDDFF0EDA0, 8 bytes long.
 Data: < D&#195;&#225;&#221;   > 10 44 C3 E1 DD 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DDDFF10690, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DDDFEFEAF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001DDDFF15540, 16 bytes long.
 Data: < `&#241;&#223;&#221;           > 08 60 F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DDDFF15AE0, 16 bytes long.
 Data: <&#224;_&#241;&#223;&#221;           > E0 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DDDFF0FBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001DDDFF15A40, 16 bytes long.
 Data: <&#184;_&#241;&#223;&#221;           > B8 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DDDFF15A90, 16 bytes long.
 Data: < _&#241;&#223;&#221;           > 90 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DDDFF159A0, 16 bytes long.
 Data: <h_&#241;&#223;&#221;           > 68 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DDDFF14E60, 16 bytes long.
 Data: <@_&#241;&#223;&#221;           > 40 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DDDFF140D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001DDDFF154F0, 16 bytes long.
 Data: < &#181;&#239;&#223;&#221;           > 08 B5 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DDDFF0F260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001DDDFF15860, 16 bytes long.
 Data: <&#224;&#180;&#239;&#223;&#221;           > E0 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DDDFF14EB0, 16 bytes long.
 Data: <&#184;&#180;&#239;&#223;&#221;           > B8 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DDDFF15950, 16 bytes long.
 Data: < &#180;&#239;&#223;&#221;           > 90 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DDDFF14D20, 16 bytes long.
 Data: <h&#180;&#239;&#223;&#221;           > 68 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DDDFF15C20, 16 bytes long.
 Data: <@&#180;&#239;&#223;&#221;           > 40 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DDDFF154A0, 16 bytes long.
 Data: < &#180;&#239;&#223;&#221;           > 18 B4 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DDDFF0F680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001DDDFF15450, 16 bytes long.
 Data: <&#240;&#179;&#239;&#223;&#221;           > F0 B3 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DDDFEFB3F0, 320 bytes long.
 Data: <PT&#241;&#223;&#221;    &#246;&#240;&#223;&#221;   > 50 54 F1 DF DD 01 00 00 80 F6 F0 DF DD 01 00 00 
{274} normal block at 0x000001DDDFF15400, 16 bytes long.
 Data: < _&#241;&#223;&#221;           > 20 5F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DDDFF15130, 16 bytes long.
 Data: <&#248;^&#241;&#223;&#221;           > F8 5E F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DDDFF0FE00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001DDDFF14D70, 16 bytes long.
 Data: <&#208;^&#241;&#223;&#221;           > D0 5E F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DDDFF0EFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001DDDFF15590, 16 bytes long.
 Data: < ^&#241;&#223;&#221;           > 18 5E F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DDDFF158B0, 16 bytes long.
 Data: <&#240;]&#241;&#223;&#221;           > F0 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DDDFF153B0, 16 bytes long.
 Data: <&#200;]&#241;&#223;&#221;           > C8 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DDDFF152C0, 16 bytes long.
 Data: <&#160;]&#241;&#223;&#221;           > A0 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DDDFF14FA0, 16 bytes long.
 Data: <x]&#241;&#223;&#221;           > 78 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DDDFF15BD0, 16 bytes long.
 Data: <P]&#241;&#223;&#221;           > 50 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DDDFF159F0, 16 bytes long.
 Data: <&#240;?&#241;&#223;&#221;           > F0 3F F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DDDFF13FF0, 40 bytes long.
 Data: <&#240;Y&#241;&#223;&#221;   0N&#189;&#225;&#221;   > F0 59 F1 DF DD 01 00 00 30 4E BD E1 DD 01 00 00 
{260} normal block at 0x000001DDDFF15900, 16 bytes long.
 Data: <0]&#241;&#223;&#221;           > 30 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DDDFF150E0, 16 bytes long.
 Data: < ]&#241;&#223;&#221;           > 08 5D F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DDDFF0FC80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001DDDFF15270, 16 bytes long.
 Data: <&#224;\&#241;&#223;&#221;           > E0 5C F1 DF DD 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DDDFF15CE0, 992 bytes long.
 Data: <pR&#241;&#223;&#221;    &#252;&#240;&#223;&#221;   > 70 52 F1 DF DD 01 00 00 80 FC F0 DF DD 01 00 00 
{92} normal block at 0x000001DDDFF0FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001DDDFF0E030, 16 bytes long.
 Data: < &#242;&#239;&#223;&#221;           > 80 F2 EF DF DD 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DDDFEFF280, 40 bytes long.
 Data: <0&#224;&#240;&#223;&#221;   &#160;&#250;&#240;&#223;&#221;   > 30 E0 F0 DF DD 01 00 00 A0 FA F0 DF DD 01 00 00 
{69} normal block at 0x000001DDDFF0E850, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DDDFF0E2B0, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DDDFF0E8A0, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DDDFF0E440, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DDDFF0E260, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DDDFF0E210, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DDDFF0E8F0, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DDDFF0E990, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DDDFF0EA30, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DDDFF0E620, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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