Task 38685864

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND8577_0
Workunit 31627318
Created 27 Oct 2026, 23:19:22 UTC
Sent 27 Oct 2026, 23:19:32 UTC
Report deadline 1 Nov 2026, 23:19:32 UTC
Received 28 Oct 2026, 0:35:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 12 sec
CPU time 1 hours 3 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.72 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:31:17 (10888): wrapper (7.9.26016): starting
16:31:17 (10888): 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
16:31:19 (10888): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:31:19 (10888): 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\26\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\26\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
17:34:20 (10888): C:/Windows/system32/cmd.exe exited; CPU time 3818.000000
17:34:20 (10888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 53986396 bytes.
Dumping objects ->
{3835270} normal block at 0x0000016A39010A70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000016A39010B50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000016A39010FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000016A39010AE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000016A39010F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000016A390BC000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000016A39014600, 85 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) : {3835181} normal block at 0x0000016A373764C0, 8 bytes long.
 Data: <  &#220;8j   > 00 00 DC 38 6A 01 00 00 
{3834558} normal block at 0x0000016A39014920, 85 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 0x0000016A37376510, 8 bytes long.
 Data: < W 9j   > 20 57 01 39 6A 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000016A37380440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016A3736B1B0, 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 0x0000016A37381FC0, 16 bytes long.
 Data: <x;87j           > 78 3B 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016A37382010, 16 bytes long.
 Data: <P;87j           > 50 3B 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016A3737CB40, 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 0x0000016A37381F20, 16 bytes long.
 Data: <(;87j           > 28 3B 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016A37381E80, 16 bytes long.
 Data: < ;87j           > 00 3B 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000016A373816B0, 16 bytes long.
 Data: <&#216;:87j           > D8 3A 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016A37381F70, 16 bytes long.
 Data: <&#176;:87j           > B0 3A 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016A3737AD40, 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 0x0000016A37381AC0, 16 bytes long.
 Data: <X&#195;77j           > 58 C3 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016A3737D320, 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 0x0000016A37381570, 16 bytes long.
 Data: <0&#195;77j           > 30 C3 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016A373814D0, 16 bytes long.
 Data: < &#195;77j           > 08 C3 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016A37382150, 16 bytes long.
 Data: <&#224;&#194;77j           > E0 C2 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016A37381520, 16 bytes long.
 Data: <&#184;&#194;77j           > B8 C2 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016A37381E30, 16 bytes long.
 Data: < &#194;77j           > 90 C2 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016A37382330, 16 bytes long.
 Data: <h&#194;77j           > 68 C2 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016A3737D2C0, 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 0x0000016A37381660, 16 bytes long.
 Data: <@&#194;77j           > 40 C2 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016A3737C240, 320 bytes long.
 Data: <` 87j   &#192;&#210;77j   > 60 16 38 37 6A 01 00 00 C0 D2 37 37 6A 01 00 00 
{271} normal block at 0x0000016A37381890, 16 bytes long.
 Data: < :87j           > 90 3A 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016A37381CF0, 16 bytes long.
 Data: <h:87j           > 68 3A 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016A3737D1A0, 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 0x0000016A37381DE0, 16 bytes long.
 Data: <@:87j           > 40 3A 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016A3737CAE0, 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 0x0000016A37381CA0, 16 bytes long.
 Data: < 987j           > 88 39 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016A37381D40, 16 bytes long.
 Data: <`987j           > 60 39 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016A373823D0, 16 bytes long.
 Data: <8987j           > 38 39 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016A37381C50, 16 bytes long.
 Data: < 987j           > 10 39 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016A37381610, 16 bytes long.
 Data: <&#232;887j           > E8 38 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016A37381D90, 16 bytes long.
 Data: <&#192;887j           > C0 38 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016A37382060, 16 bytes long.
 Data: <&#208;&#172;77j           > D0 AC 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016A3737ACD0, 40 bytes long.
 Data: <` 87j    &#192; 9j   > 60 20 38 37 6A 01 00 00 00 C0 0B 39 6A 01 00 00 
{257} normal block at 0x0000016A37381A20, 16 bytes long.
 Data: <&#160;887j           > A0 38 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016A37381B60, 16 bytes long.
 Data: <x887j           > 78 38 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016A3737D0E0, 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 0x0000016A37381BB0, 16 bytes long.
 Data: <P887j           > 50 38 38 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016A37383850, 992 bytes long.
 Data: <&#176; 87j   &#224;&#208;77j   > B0 1B 38 37 6A 01 00 00 E0 D0 37 37 6A 01 00 00 
{89} normal block at 0x0000016A3737C9C0, 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 0x0000016A37376880, 16 bytes long.
 Data: < &#174;77j           > 20 AE 37 37 6A 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000016A3737AE20, 40 bytes long.
 Data: < h77j   &#192;&#201;77j   > 80 68 37 37 6A 01 00 00 C0 C9 37 37 6A 01 00 00 
{66} normal block at 0x0000016A373766F0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016A37376E20, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016A37376CE0, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016A37376BF0, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016A373767E0, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016A37376420, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016A373763D0, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016A373761F0, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016A373766A0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016A37376470, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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