Task 38665424

Name test_427-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8446_1
Workunit 31608163
Created 25 Oct 2026, 1:05:43 UTC
Sent 25 Oct 2026, 1:07:51 UTC
Report deadline 30 Oct 2026, 1:07:51 UTC
Received 25 Oct 2026, 16:24:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 12 hours 39 min 44 sec
CPU time 11 hours 47 min 25 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.48 MB
Peak swap size 5.24 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:43:02 (20016): wrapper (7.9.26016): starting
20:43:02 (20016): 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
20:43:06 (20016): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:43:06 (20016): 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
09:22:07 (20016): C:/Windows/system32/cmd.exe exited; CPU time 42445.046875
09:22:07 (20016): 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: 656232387 bytes.
Dumping objects ->
{3835221} normal block at 0x00000236220516D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000023622051430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000023622051660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000023622050A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000023622050C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x00000236220FB780, 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) : {3835133} normal block at 0x0000023620425EF0, 8 bytes long.
 Data: <  > 6   > 00 00 3E 20 36 02 00 00 
{3833949} normal block at 0x0000023620426350, 8 bytes long.
 Data: <&#224;&#131; "6   > E0 83 19 22 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000023620430140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002362041B320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000023620431E50, 16 bytes long.
 Data: < 7C 6           > 88 37 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000236204310E0, 16 bytes long.
 Data: <`7C 6           > 60 37 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002362042A8E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000023620431DB0, 16 bytes long.
 Data: <87C 6           > 38 37 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023620431EF0, 16 bytes long.
 Data: < 7C 6           > 10 37 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000236204318B0, 16 bytes long.
 Data: <&#232;6C 6           > E8 36 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023620431D60, 16 bytes long.
 Data: <&#192;6C 6           > C0 36 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002362042CB40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000023620431D10, 16 bytes long.
 Data: < &#191;A 6           > 98 BF 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002362042AD00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x00000236204314F0, 16 bytes long.
 Data: <p&#191;A 6           > 70 BF 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000236204314A0, 16 bytes long.
 Data: <H&#191;A 6           > 48 BF 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023620431CC0, 16 bytes long.
 Data: < &#191;A 6           > 20 BF 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023620431860, 16 bytes long.
 Data: <&#248;&#190;A 6           > F8 BE 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023620431130, 16 bytes long.
 Data: <&#208;&#190;A 6           > D0 BE 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023620431B80, 16 bytes long.
 Data: <&#168;&#190;A 6           > A8 BE 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002362042ACA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000023620431450, 16 bytes long.
 Data: < &#190;A 6           > 80 BE 41 20 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002362041BE80, 320 bytes long.
 Data: <P C 6   &#160;&#172;B 6   > 50 14 43 20 36 02 00 00 A0 AC 42 20 36 02 00 00 
{270} normal block at 0x0000023620431400, 16 bytes long.
 Data: <&#160;6C 6           > A0 36 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023620431C70, 16 bytes long.
 Data: <x6C 6           > 78 36 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002362042B480, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000023620431C20, 16 bytes long.
 Data: <P6C 6           > 50 36 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002362042AFA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000236204313B0, 16 bytes long.
 Data: < 5C 6           > 98 35 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023620431090, 16 bytes long.
 Data: <p5C 6           > 70 35 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023620431900, 16 bytes long.
 Data: <H5C 6           > 48 35 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023620431360, 16 bytes long.
 Data: < 5C 6           > 20 35 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023620431BD0, 16 bytes long.
 Data: <&#248;4C 6           > F8 34 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023620431B30, 16 bytes long.
 Data: <&#208;4C 6           > D0 34 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023620431310, 16 bytes long.
 Data: < &#204;B 6           > 20 CC 42 20 36 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002362042CC20, 40 bytes long.
 Data: <  C 6    &#183; "6   > 10 13 43 20 36 02 00 00 80 B7 0F 22 36 02 00 00 
{256} normal block at 0x0000023620431810, 16 bytes long.
 Data: <&#176;4C 6           > B0 34 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023620431E00, 16 bytes long.
 Data: < 4C 6           > 88 34 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002362042B120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000023620431FE0, 16 bytes long.
 Data: <`4C 6           > 60 34 43 20 36 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023620433460, 992 bytes long.
 Data: <&#224; C 6    &#177;B 6   > E0 1F 43 20 36 02 00 00 20 B1 42 20 36 02 00 00 
{88} normal block at 0x000002362042B360, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x00000236204261C0, 16 bytes long.
 Data: <`&#202;B 6           > 60 CA 42 20 36 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002362042CA60, 40 bytes long.
 Data: <&#192;aB 6   `&#179;B 6   > C0 61 42 20 36 02 00 00 60 B3 42 20 36 02 00 00 
{65} normal block at 0x0000023620425EA0, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023620426850, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023620425F40, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023620425A90, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023620425D10, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023620426620, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023620425F90, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023620425C70, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023620426990, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023620425FE0, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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