Task 38683087

Name test_402-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7507_0
Workunit 31624667
Created 27 Oct 2026, 10:23:29 UTC
Sent 27 Oct 2026, 10:23:34 UTC
Report deadline 1 Nov 2026, 10:23:34 UTC
Received 27 Oct 2026, 12:29:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 478420
Run time 1 hours 2 min 18 sec
CPU time 57 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 670.36 MB
Peak swap size 2.20 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:28:40 (29344): wrapper (7.9.26016): starting
13:28:40 (29344): 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
13:28:42 (29344): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:28:42 (29344): 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\8\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\8\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
14:28:55 (29344): C:/Windows/system32/cmd.exe exited; CPU time 3429.125000
14:28:55 (29344): 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: 56449979 bytes.
Dumping objects ->
{3835257} normal block at 0x00000240C98B0F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x00000240C98B0AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000240C98B14F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x00000240C98B13A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x00000240C98B15D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x00000240C995CCD0, 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) : {3835169} normal block at 0x00000240C7DC71F0, 8 bytes long.
 Data: <  l&#201;@   > 00 00 6C C9 40 02 00 00 
{3833951} normal block at 0x00000240C7DC76F0, 8 bytes long.
 Data: <&#160;i&#159;&#201;@   > A0 69 9F C9 40 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000240C7DD1C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000240C7DD2BD0, 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 0x00000240C7DD30E0, 16 bytes long.
 Data: <&#184;C&#221;&#199;@           > B8 43 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000240C7DD3130, 16 bytes long.
 Data: < C&#221;&#199;@           > 90 43 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000240C7DCBE50, 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 0x00000240C7DD3A40, 16 bytes long.
 Data: <hC&#221;&#199;@           > 68 43 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000240C7DD2FA0, 16 bytes long.
 Data: <@C&#221;&#199;@           > 40 43 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000240C7DD3630, 16 bytes long.
 Data: < C&#221;&#199;@           > 18 43 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000240C7DD2F50, 16 bytes long.
 Data: <&#240;B&#221;&#199;@           > F0 42 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000240C7DCDAD0, 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 0x00000240C7DD3810, 16 bytes long.
 Data: <h+&#221;&#199;@           > 68 2B DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000240C7DCBDF0, 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 0x00000240C7DD2EB0, 16 bytes long.
 Data: <@+&#221;&#199;@           > 40 2B DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000240C7DD3BD0, 16 bytes long.
 Data: < +&#221;&#199;@           > 18 2B DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000240C7DD34A0, 16 bytes long.
 Data: <&#240;*&#221;&#199;@           > F0 2A DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000240C7DD37C0, 16 bytes long.
 Data: <&#200;*&#221;&#199;@           > C8 2A DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000240C7DD31D0, 16 bytes long.
 Data: <&#160;*&#221;&#199;@           > A0 2A DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000240C7DD39F0, 16 bytes long.
 Data: <x*&#221;&#199;@           > 78 2A DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000240C7DCC030, 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 0x00000240C7DD3A90, 16 bytes long.
 Data: <P*&#221;&#199;@           > 50 2A DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000240C7DD2A50, 320 bytes long.
 Data: < :&#221;&#199;@   0&#192;&#220;&#199;@   > 90 3A DD C7 40 02 00 00 30 C0 DC C7 40 02 00 00 
{271} normal block at 0x00000240C7DD3AE0, 16 bytes long.
 Data: <&#208;B&#221;&#199;@           > D0 42 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000240C7DD34F0, 16 bytes long.
 Data: <&#168;B&#221;&#199;@           > A8 42 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000240C7DCC630, 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 0x00000240C7DD3770, 16 bytes long.
 Data: < B&#221;&#199;@           > 80 42 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000240C7DCBC70, 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 0x00000240C7DD2E60, 16 bytes long.
 Data: <&#200;A&#221;&#199;@           > C8 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000240C7DD2F00, 16 bytes long.
 Data: <&#160;A&#221;&#199;@           > A0 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000240C7DD3950, 16 bytes long.
 Data: <xA&#221;&#199;@           > 78 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000240C7DD3090, 16 bytes long.
 Data: <PA&#221;&#199;@           > 50 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000240C7DD3680, 16 bytes long.
 Data: <(A&#221;&#199;@           > 28 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000240C7DD3720, 16 bytes long.
 Data: < A&#221;&#199;@           > 00 41 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000240C7DD2D20, 16 bytes long.
 Data: <&#240;&#217;&#220;&#199;@           > F0 D9 DC C7 40 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000240C7DCD9F0, 40 bytes long.
 Data: < -&#221;&#199;@   &#208;&#204;&#149;&#201;@   > 20 2D DD C7 40 02 00 00 D0 CC 95 C9 40 02 00 00 
{257} normal block at 0x00000240C7DD3220, 16 bytes long.
 Data: <&#224;@&#221;&#199;@           > E0 40 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000240C7DD3450, 16 bytes long.
 Data: <&#184;@&#221;&#199;@           > B8 40 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000240C7DCBCD0, 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 0x00000240C7DD3040, 16 bytes long.
 Data: < @&#221;&#199;@           > 90 40 DD C7 40 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000240C7DD4090, 992 bytes long.
 Data: <@0&#221;&#199;@   &#208;&#188;&#220;&#199;@   > 40 30 DD C7 40 02 00 00 D0 BC DC C7 40 02 00 00 
{89} normal block at 0x00000240C7DCBAF0, 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 0x00000240C7DC6F70, 16 bytes long.
 Data: < &#221;&#220;&#199;@           > 00 DD DC C7 40 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000240C7DCDD00, 40 bytes long.
 Data: <po&#220;&#199;@   &#240;&#186;&#220;&#199;@   > 70 6F DC C7 40 02 00 00 F0 BA DC C7 40 02 00 00 
{66} normal block at 0x00000240C7DC7100, 16 bytes long.
 Data: < &#234;(h&#247;           > 80 EA 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000240C7DC7240, 16 bytes long.
 Data: <@&#233;(h&#247;           > 40 E9 28 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000240C7DC7830, 16 bytes long.
 Data: <&#248;W%h&#247;           > F8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000240C7DC7420, 16 bytes long.
 Data: <&#216;W%h&#247;           > D8 57 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000240C7DC6E30, 16 bytes long.
 Data: <P %h&#247;           > 50 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000240C7DC6C00, 16 bytes long.
 Data: <0 %h&#247;           > 30 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000240C7DC6C50, 16 bytes long.
 Data: <&#224; %h&#247;           > E0 02 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000240C7DC76A0, 16 bytes long.
 Data: <  %h&#247;           > 10 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000240C7DC6D40, 16 bytes long.
 Data: <p %h&#247;           > 70 04 25 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000240C7DC73D0, 16 bytes long.
 Data: < &#192;#h&#247;           > 18 C0 23 68 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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