Task 38698930

Name test_347-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5211_2
Workunit 31639386
Created 3 Nov 2026, 7:27:45 UTC
Sent 3 Nov 2026, 7:27:51 UTC
Report deadline 8 Nov 2026, 7:27:51 UTC
Received 3 Nov 2026, 11:17:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655048
Run time 1 hours 14 min 17 sec
CPU time 1 hours 9 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.77 MB
Peak swap size 2.30 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:03:53 (2800): wrapper (7.9.26016): starting
11:03:53 (2800): 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
11:03:55 (2800): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:03:55 (2800): 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
12:16:26 (2800): C:/Windows/system32/cmd.exe exited; CPU time 4154.546875
12:16:26 (2800): 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: 48778805 bytes.
Dumping objects ->
{3835183} normal block at 0x000001F66F627090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F66F6271E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x000001F66F627F70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835150} normal block at 0x000001F66F627F00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835139} normal block at 0x000001F66F627D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835108} normal block at 0x000001F671163E60, 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) : {3835095} normal block at 0x000001F66F5F5F50, 8 bytes long.
 Data: <  (q&#246;   > 00 00 28 71 F6 01 00 00 
{3833951} normal block at 0x000001F66F5F54B0, 8 bytes long.
 Data: < H q&#246;   > 10 48 1F 71 F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001F66F602C20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F66F5E5D50, 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 0x000001F66F603DF0, 16 bytes long.
 Data: <&#200;N`o&#246;           > C8 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F66F604340, 16 bytes long.
 Data: <&#160;N`o&#246;           > A0 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F66F5FC4E0, 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 0x000001F66F604480, 16 bytes long.
 Data: <xN`o&#246;           > 78 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F66F604200, 16 bytes long.
 Data: <PN`o&#246;           > 50 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F66F604700, 16 bytes long.
 Data: <(N`o&#246;           > 28 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F66F604110, 16 bytes long.
 Data: < N`o&#246;           > 00 4E 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F66F5FA690, 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 0x000001F66F604020, 16 bytes long.
 Data: <&#232;\^o&#246;           > E8 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F66F5FB940, 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 0x000001F66F603D50, 16 bytes long.
 Data: <&#192;\^o&#246;           > C0 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F66F6042F0, 16 bytes long.
 Data: < \^o&#246;           > 98 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F66F604160, 16 bytes long.
 Data: <p\^o&#246;           > 70 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F66F603A30, 16 bytes long.
 Data: <H\^o&#246;           > 48 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F66F6042A0, 16 bytes long.
 Data: < \^o&#246;           > 20 5C 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F66F6046B0, 16 bytes long.
 Data: <&#248;[^o&#246;           > F8 5B 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F66F5FC240, 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 0x000001F66F603C60, 16 bytes long.
 Data: <&#208;[^o&#246;           > D0 5B 5E 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F66F5E5BD0, 320 bytes long.
 Data: <`<`o&#246;   @&#194;_o&#246;   > 60 3C 60 6F F6 01 00 00 40 C2 5F 6F F6 01 00 00 
{271} normal block at 0x000001F66F603DA0, 16 bytes long.
 Data: <&#224;M`o&#246;           > E0 4D 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F66F603F80, 16 bytes long.
 Data: <&#184;M`o&#246;           > B8 4D 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F66F5FBCA0, 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 0x000001F66F604570, 16 bytes long.
 Data: < M`o&#246;           > 90 4D 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F66F5FBEE0, 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 0x000001F66F6045C0, 16 bytes long.
 Data: <&#216;L`o&#246;           > D8 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F66F604390, 16 bytes long.
 Data: <&#176;L`o&#246;           > B0 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F66F6041B0, 16 bytes long.
 Data: < L`o&#246;           > 88 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F66F604930, 16 bytes long.
 Data: <`L`o&#246;           > 60 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F66F603E90, 16 bytes long.
 Data: <8L`o&#246;           > 38 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F66F6048E0, 16 bytes long.
 Data: < L`o&#246;           > 10 4C 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F66F603F30, 16 bytes long.
 Data: <0 _o&#246;           > 30 A2 5F 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F66F5FA230, 40 bytes long.
 Data: <0?`o&#246;   `> q&#246;   > 30 3F 60 6F F6 01 00 00 60 3E 16 71 F6 01 00 00 
{257} normal block at 0x000001F66F603B70, 16 bytes long.
 Data: <&#240;K`o&#246;           > F0 4B 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F66F603B20, 16 bytes long.
 Data: <&#200;K`o&#246;           > C8 4B 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F66F5FC1E0, 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 0x000001F66F604660, 16 bytes long.
 Data: <&#160;K`o&#246;           > A0 4B 60 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001F66F604BA0, 992 bytes long.
 Data: <`F`o&#246;   &#224;&#193;_o&#246;   > 60 46 60 6F F6 01 00 00 E0 C1 5F 6F F6 01 00 00 
{89} normal block at 0x000001F66F5FC420, 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 0x000001F66F5F5640, 16 bytes long.
 Data: < &#163;_o&#246;           > 80 A3 5F 6F F6 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001F66F5FA380, 40 bytes long.
 Data: <@V_o&#246;    &#196;_o&#246;   > 40 56 5F 6F F6 01 00 00 20 C4 5F 6F F6 01 00 00 
{66} normal block at 0x000001F66F5F6180, 16 bytes long.
 Data: < &#234;X&#216;&#247;           > 80 EA 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F66F5F5500, 16 bytes long.
 Data: <@&#233;X&#216;&#247;           > 40 E9 58 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F66F5F5410, 16 bytes long.
 Data: <&#248;WU&#216;&#247;           > F8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F66F5F5B90, 16 bytes long.
 Data: <&#216;WU&#216;&#247;           > D8 57 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F66F5F5820, 16 bytes long.
 Data: <P U&#216;&#247;           > 50 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F66F5F5AA0, 16 bytes long.
 Data: <0 U&#216;&#247;           > 30 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F66F5F5D20, 16 bytes long.
 Data: <&#224; U&#216;&#247;           > E0 02 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F66F5F5E10, 16 bytes long.
 Data: <  U&#216;&#247;           > 10 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F66F5F5E60, 16 bytes long.
 Data: <p U&#216;&#247;           > 70 04 55 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F66F5F55A0, 16 bytes long.
 Data: < &#192;S&#216;&#247;           > 18 C0 53 D8 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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