Task 38675205

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND6011_0
Workunit 31617197
Created 26 Oct 2026, 7:37:17 UTC
Sent 26 Oct 2026, 7:37:20 UTC
Report deadline 31 Oct 2026, 7:37:20 UTC
Received 26 Oct 2026, 17:41:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 543341
Run time 55 min 52 sec
CPU time 53 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,458.00 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.60 MB
Peak swap size 12.76 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:39:04 (3692): wrapper (7.9.26016): starting
08:39:04 (3692): 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
08:39:08 (3692): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:08 (3692): 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\22\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\22\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
09:33:47 (3692): C:/Windows/system32/cmd.exe exited; CPU time 3225.609375
09:33:47 (3692): 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: 55941117 bytes.
Dumping objects ->
{3835302} normal block at 0x0000022E1E9B5080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x0000022E1E9B5390, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x0000022E1E9B5B00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x0000022E1E9B5160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x0000022E1E9B51D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x0000022E2070B200, 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) : {3835214} normal block at 0x0000022E1E985E90, 8 bytes long.
 Data: <    .   > 00 00 90 1E 2E 02 00 00 
{3833947} normal block at 0x0000022E1E985440, 8 bytes long.
 Data: <&#240;&#232;f .   > F0 E8 66 20 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000022E1E990C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E1E975D00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000022E1E991E30, 16 bytes long.
 Data: <&#184;.  .           > B8 2E 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022E1E991FC0, 16 bytes long.
 Data: < .  .           > 90 2E 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E1E98C010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000022E1E991D40, 16 bytes long.
 Data: <h.  .           > 68 2E 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022E1E992560, 16 bytes long.
 Data: <@.  .           > 40 2E 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E1E991B10, 16 bytes long.
 Data: < .  .           > 18 2E 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E1E9923D0, 16 bytes long.
 Data: <&#240;-  .           > F0 2D 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E1E98A400, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000022E1E991A20, 16 bytes long.
 Data: < \&#151; .           > 98 5C 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E1E98C250, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000022E1E992010, 16 bytes long.
 Data: <p\&#151; .           > 70 5C 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E1E991AC0, 16 bytes long.
 Data: <H\&#151; .           > 48 5C 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022E1E992740, 16 bytes long.
 Data: < \&#151; .           > 20 5C 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E1E991E80, 16 bytes long.
 Data: <&#248;[&#151; .           > F8 5B 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022E1E992510, 16 bytes long.
 Data: <&#208;[&#151; .           > D0 5B 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022E1E9925B0, 16 bytes long.
 Data: <&#168;[&#151; .           > A8 5B 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E1E98BA10, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{271} normal block at 0x0000022E1E992920, 16 bytes long.
 Data: < [&#151; .           > 80 5B 97 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022E1E975B80, 320 bytes long.
 Data: < )  .    &#186;  .   > 20 29 99 1E 2E 02 00 00 10 BA 98 1E 2E 02 00 00 
{269} normal block at 0x0000022E1E992380, 16 bytes long.
 Data: <&#208;-  .           > D0 2D 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022E1E991CF0, 16 bytes long.
 Data: <&#168;-  .           > A8 2D 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E1E98B950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000022E1E991C00, 16 bytes long.
 Data: < -  .           > 80 2D 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022E1E98C2B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000022E1E991C50, 16 bytes long.
 Data: <&#200;,  .           > C8 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022E1E992330, 16 bytes long.
 Data: <&#160;,  .           > A0 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022E1E9924C0, 16 bytes long.
 Data: <x,  .           > 78 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E1E9922E0, 16 bytes long.
 Data: <P,  .           > 50 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022E1E992790, 16 bytes long.
 Data: <(,  .           > 28 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022E1E991DE0, 16 bytes long.
 Data: < ,  .           > 00 2C 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022E1E992470, 16 bytes long.
 Data: <&#208;   .           > D0 A1 98 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022E1E98A1D0, 40 bytes long.
 Data: <p$  .     p .   > 70 24 99 1E 2E 02 00 00 00 B2 70 20 2E 02 00 00 
{255} normal block at 0x0000022E1E992650, 16 bytes long.
 Data: <&#224;+  .           > E0 2B 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000022E1E991BB0, 16 bytes long.
 Data: <&#184;+  .           > B8 2B 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000022E1E98BAD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000022E1E992970, 16 bytes long.
 Data: < +  .           > 90 2B 99 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000022E1E992B90, 992 bytes long.
 Data: <p)  .   &#208;&#186;  .   > 70 29 99 1E 2E 02 00 00 D0 BA 98 1E 2E 02 00 00 
{87} normal block at 0x0000022E1E98BFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000022E1E9862F0, 16 bytes long.
 Data: <&#176;   .           > B0 A2 98 1E 2E 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000022E1E98A2B0, 40 bytes long.
 Data: <&#240;b  .   &#176;&#191;  .   > F0 62 98 1E 2E 02 00 00 B0 BF 98 1E 2E 02 00 00 
{64} normal block at 0x0000022E1E9858F0, 16 bytes long.
 Data: < &#234; &#249;&#246;           > 80 EA 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022E1E985DF0, 16 bytes long.
 Data: <@&#233; &#249;&#246;           > 40 E9 1F F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022E1E985850, 16 bytes long.
 Data: <&#248;W &#249;&#246;           > F8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022E1E985990, 16 bytes long.
 Data: <&#216;W &#249;&#246;           > D8 57 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022E1E985A30, 16 bytes long.
 Data: <P  &#249;&#246;           > 50 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022E1E9857B0, 16 bytes long.
 Data: <0  &#249;&#246;           > 30 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022E1E985E40, 16 bytes long.
 Data: <&#224;  &#249;&#246;           > E0 02 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022E1E985580, 16 bytes long.
 Data: <   &#249;&#246;           > 10 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022E1E9861B0, 16 bytes long.
 Data: <p  &#249;&#246;           > 70 04 1C F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022E1E985530, 16 bytes long.
 Data: < &#192; &#249;&#246;           > 18 C0 1A F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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