Task 38689129

Name test_244-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND7641_0
Workunit 31630405
Created 28 Oct 2026, 18:36:04 UTC
Sent 28 Oct 2026, 18:36:07 UTC
Report deadline 2 Nov 2026, 18:36:07 UTC
Received 28 Oct 2026, 19:00:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 23 min 1 sec
CPU time 21 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.77 MB
Peak swap size 8.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:05 (3608): wrapper (7.9.26016): starting
18:37:05 (3608): 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
18:37:06 (3608): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:06 (3608): 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\17\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\17\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
18:59:19 (3608): C:/Windows/system32/cmd.exe exited; CPU time 1289.843750
18:59:19 (3608): 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: 23995325 bytes.
Dumping objects ->
{3835253} normal block at 0x0000022B5BECD2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000022B5A1E5050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000022B5A1E4F70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000022B5A1E4DB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000022B5A1E4F00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000022B5BF189D0, 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) : {3835165} normal block at 0x0000022B5A1E0370, 8 bytes long.
 Data: <   Z+   > 00 00 1A 5A 2B 02 00 00 
{3833961} normal block at 0x0000022B5A1E0460, 8 bytes long.
 Data: <&#160;<&#247;[+   > A0 3C F7 5B 2B 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000022B5A1E1790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022B5A1D6680, 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 0x0000022B5A1E5AB0, 16 bytes long.
 Data: < Y Z+           > 18 59 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022B5A1E62D0, 16 bytes long.
 Data: <&#240;X Z+           > F0 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022B5A1DF270, 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 0x0000022B5A1E5F10, 16 bytes long.
 Data: <&#200;X Z+           > C8 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022B5A1E5A60, 16 bytes long.
 Data: <&#160;X Z+           > A0 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022B5A1E5D30, 16 bytes long.
 Data: <xX Z+           > 78 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022B5A1E65F0, 16 bytes long.
 Data: <PX Z+           > 50 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022B5A1E4C60, 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 0x0000022B5A1E61E0, 16 bytes long.
 Data: <h&#232; Z+           > 68 E8 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022B5A1DF7B0, 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 0x0000022B5A1E5F60, 16 bytes long.
 Data: <@&#232; Z+           > 40 E8 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022B5A1E5EC0, 16 bytes long.
 Data: < &#232; Z+           > 18 E8 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022B5A1E60A0, 16 bytes long.
 Data: <&#240;&#231; Z+           > F0 E7 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022B5A1E68C0, 16 bytes long.
 Data: <&#200;&#231; Z+           > C8 E7 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022B5A1E6870, 16 bytes long.
 Data: <&#160;&#231; Z+           > A0 E7 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022B5A1E5E70, 16 bytes long.
 Data: <x&#231; Z+           > 78 E7 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022B5A1DF4B0, 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 0x0000022B5A1E60F0, 16 bytes long.
 Data: <P&#231; Z+           > 50 E7 1D 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022B5A1DE750, 320 bytes long.
 Data: <&#240;` Z+   &#176;&#244; Z+   > F0 60 1E 5A 2B 02 00 00 B0 F4 1D 5A 2B 02 00 00 
{276} normal block at 0x0000022B5A1E6820, 16 bytes long.
 Data: <0X Z+           > 30 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022B5A1E6140, 16 bytes long.
 Data: < X Z+           > 08 58 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022B5A1DED30, 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 0x0000022B5A1E6000, 16 bytes long.
 Data: <&#224;W Z+           > E0 57 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022B5A1DF750, 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 0x0000022B5A1E5CE0, 16 bytes long.
 Data: <(W Z+           > 28 57 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022B5A1E5E20, 16 bytes long.
 Data: < W Z+           > 00 57 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022B5A1E5DD0, 16 bytes long.
 Data: <&#216;V Z+           > D8 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022B5A1E6460, 16 bytes long.
 Data: <&#176;V Z+           > B0 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022B5A1E0050, 16 bytes long.
 Data: < V Z+           > 88 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022B5A1E0140, 16 bytes long.
 Data: <`V Z+           > 60 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022B5A1DFE70, 16 bytes long.
 Data: < N Z+           > 20 4E 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022B5A1E4E20, 40 bytes long.
 Data: <p&#254; Z+   &#208;&#137;&#241;[+   > 70 FE 1D 5A 2B 02 00 00 D0 89 F1 5B 2B 02 00 00 
{262} normal block at 0x0000022B5A1DFE20, 16 bytes long.
 Data: <@V Z+           > 40 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022B5A1E0730, 16 bytes long.
 Data: < V Z+           > 18 56 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022B5A1DECD0, 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 0x0000022B5A1DFBF0, 16 bytes long.
 Data: <&#240;U Z+           > F0 55 1E 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022B5A1E55F0, 992 bytes long.
 Data: <&#240;&#251; Z+   &#208;&#236; Z+   > F0 FB 1D 5A 2B 02 00 00 D0 EC 1D 5A 2B 02 00 00 
{94} normal block at 0x0000022B5A1DEDF0, 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 0x0000022B5A1E0820, 16 bytes long.
 Data: <&#224;&#240; Z+           > E0 F0 1C 5A 2B 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000022B5A1CF0E0, 40 bytes long.
 Data: <   Z+   &#240;&#237; Z+   > 20 08 1E 5A 2B 02 00 00 F0 ED 1D 5A 2B 02 00 00 
{71} normal block at 0x0000022B5A1DFDD0, 16 bytes long.
 Data: < &#234;&#216;;&#246;           > 80 EA D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022B5A1E0690, 16 bytes long.
 Data: <@&#233;&#216;;&#246;           > 40 E9 D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022B5A1DFFB0, 16 bytes long.
 Data: <&#248;W&#213;;&#246;           > F8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022B5A1E0280, 16 bytes long.
 Data: <&#216;W&#213;;&#246;           > D8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022B5A1E07D0, 16 bytes long.
 Data: <P &#213;;&#246;           > 50 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022B5A1E0000, 16 bytes long.
 Data: <0 &#213;;&#246;           > 30 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022B5A1E05F0, 16 bytes long.
 Data: <&#224; &#213;;&#246;           > E0 02 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022B5A1DFF10, 16 bytes long.
 Data: <  &#213;;&#246;           > 10 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022B5A1DFEC0, 16 bytes long.
 Data: <p &#213;;&#246;           > 70 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022B5A1E04B0, 16 bytes long.
 Data: < &#192;&#211;;&#246;           > 18 C0 D3 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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