Task 38681178

Name test_145-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7472_0
Workunit 31622857
Created 27 Oct 2026, 3:00:04 UTC
Sent 27 Oct 2026, 3:00:11 UTC
Report deadline 1 Nov 2026, 3:00:11 UTC
Received 27 Oct 2026, 3:29:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 523908
Run time 26 min 54 sec
CPU time 25 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.54 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
04:03:01 (12192): wrapper (7.9.26016): starting
04:03:01 (12192): 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
04:03:02 (12192): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:03:02 (12192): 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\3\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\3\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
04:29:13 (12192): C:/Windows/system32/cmd.exe exited; CPU time 1533.250000
04:29:13 (12192): 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: 20720361 bytes.
Dumping objects ->
{3835235} normal block at 0x000001D323ECD460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000001D323ECC660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001D323ECCF20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835202} normal block at 0x000001D323ECD000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001D322054A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835160} normal block at 0x000001D323F18180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001D323F2E700, 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) : {3835146} normal block at 0x000001D32204EA90, 8 bytes long.
 Data: <  `"&#211;   > 00 00 60 22 D3 01 00 00 
{3834542} normal block at 0x000001D323F2E5A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001D32204E860, 8 bytes long.
 Data: <&#176;1&#247;#&#211;   > B0 31 F7 23 D3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001D322050B00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D322046730, 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 0x000001D322055860, 16 bytes long.
 Data: < f "&#211;           > 98 66 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D322056170, 16 bytes long.
 Data: <pf "&#211;           > 70 66 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D3220506B0, 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 0x000001D322055A90, 16 bytes long.
 Data: <Hf "&#211;           > 48 66 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D322055590, 16 bytes long.
 Data: < f "&#211;           > 20 66 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D3220557C0, 16 bytes long.
 Data: <&#248;e "&#211;           > F8 65 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D322056120, 16 bytes long.
 Data: <&#208;e "&#211;           > D0 65 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D322054880, 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 0x000001D322055AE0, 16 bytes long.
 Data: < &#231; "&#211;           > 88 E7 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D322050110, 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 0x000001D322055680, 16 bytes long.
 Data: <`&#231; "&#211;           > 60 E7 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D322055950, 16 bytes long.
 Data: <8&#231; "&#211;           > 38 E7 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D3220554F0, 16 bytes long.
 Data: < &#231; "&#211;           > 10 E7 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D322055900, 16 bytes long.
 Data: <&#232;&#230; "&#211;           > E8 E6 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D322055720, 16 bytes long.
 Data: <&#192;&#230; "&#211;           > C0 E6 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D322056210, 16 bytes long.
 Data: < &#230; "&#211;           > 98 E6 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D3220505F0, 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 0x000001D322055400, 16 bytes long.
 Data: <p&#230; "&#211;           > 70 E6 04 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D32204E670, 320 bytes long.
 Data: < T "&#211;   &#240;  "&#211;   > 00 54 05 22 D3 01 00 00 F0 05 05 22 D3 01 00 00 
{276} normal block at 0x000001D3220560D0, 16 bytes long.
 Data: <&#176;e "&#211;           > B0 65 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D322055540, 16 bytes long.
 Data: < e "&#211;           > 88 65 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D322050050, 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 0x000001D322056080, 16 bytes long.
 Data: <`e "&#211;           > 60 65 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D322050590, 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 0x000001D3220561C0, 16 bytes long.
 Data: <&#168;d "&#211;           > A8 64 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D322055F40, 16 bytes long.
 Data: < d "&#211;           > 80 64 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D322055D60, 16 bytes long.
 Data: <Xd "&#211;           > 58 64 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D322055770, 16 bytes long.
 Data: <0d "&#211;           > 30 64 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D322056030, 16 bytes long.
 Data: < d "&#211;           > 08 64 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D322055F90, 16 bytes long.
 Data: <&#224;c "&#211;           > E0 63 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D3220554A0, 16 bytes long.
 Data: <&#240;H "&#211;           > F0 48 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D3220548F0, 40 bytes long.
 Data: <&#160;T "&#211;     &#241;#&#211;   > A0 54 05 22 D3 01 00 00 80 81 F1 23 D3 01 00 00 
{262} normal block at 0x000001D322055EF0, 16 bytes long.
 Data: <&#192;c "&#211;           > C0 63 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D322055630, 16 bytes long.
 Data: < c "&#211;           > 98 63 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D3220500B0, 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 0x000001D322055CC0, 16 bytes long.
 Data: <pc "&#211;           > 70 63 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D322056370, 992 bytes long.
 Data: <&#192;\ "&#211;   &#176;  "&#211;   > C0 5C 05 22 D3 01 00 00 B0 00 05 22 D3 01 00 00 
{94} normal block at 0x000001D32204FED0, 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 0x000001D32204F7B0, 16 bytes long.
 Data: <pL "&#211;           > 70 4C 05 22 D3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001D322054C70, 40 bytes long.
 Data: <&#176;&#247; "&#211;   &#208;&#254; "&#211;   > B0 F7 04 22 D3 01 00 00 D0 FE 04 22 D3 01 00 00 
{71} normal block at 0x000001D32204E950, 16 bytes long.
 Data: < &#234;&#204; &#247;           > 80 EA CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D32204F300, 16 bytes long.
 Data: <@&#233;&#204; &#247;           > 40 E9 CC 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D32204F3F0, 16 bytes long.
 Data: <&#248;W&#201; &#247;           > F8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D32204EF90, 16 bytes long.
 Data: <&#216;W&#201; &#247;           > D8 57 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D32204EE00, 16 bytes long.
 Data: <P &#201; &#247;           > 50 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D32204F350, 16 bytes long.
 Data: <0 &#201; &#247;           > 30 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D32204E8B0, 16 bytes long.
 Data: <&#224; &#201; &#247;           > E0 02 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D32204EC20, 16 bytes long.
 Data: <  &#201; &#247;           > 10 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D32204F530, 16 bytes long.
 Data: <p &#201; &#247;           > 70 04 C9 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D32204EBD0, 16 bytes long.
 Data: < &#192;&#199; &#247;           > 18 C0 C7 20 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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