Task 38689550

Name test_219-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND5472_0
Workunit 31630793
Created 28 Oct 2026, 21:40:42 UTC
Sent 28 Oct 2026, 21:40:47 UTC
Report deadline 2 Nov 2026, 21:40:47 UTC
Received 28 Oct 2026, 22:54:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653122
Run time 25 min 20 sec
CPU time 22 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 47,850.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.00 MB
Peak swap size 9.99 GB
Peak disk usage 3.99 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:30:44 (5340): wrapper (7.9.26016): starting
23:30:44 (5340): 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
23:30:45 (5340): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:30:45 (5340): 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\10\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\10\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
23:54:30 (5340): C:/Windows/system32/cmd.exe exited; CPU time 1345.734375
23:54:30 (5340): 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: 27930313 bytes.
Dumping objects ->
{3835202} normal block at 0x0000012CEB37CD90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000012CEB37D0A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000012CEB37CCB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000012CEB37CFC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000012CE9564E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000012CEB3CB710, 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) : {3835114} normal block at 0x0000012CE955F2C0, 8 bytes long.
 Data: <  &#164;&#233;,   > 00 00 A4 E9 2C 01 00 00 
{3833965} normal block at 0x0000012CE955F220, 8 bytes long.
 Data: < >B&#235;,   > 10 3E 42 EB 2C 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000012CE9561720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000012CE9556650, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000012CE9566B40, 16 bytes long.
 Data: <&#248;ZV&#233;,           > F8 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000012CE9566910, 16 bytes long.
 Data: <&#208;ZV&#233;,           > D0 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012CE955DD50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000012CE9566320, 16 bytes long.
 Data: <&#168;ZV&#233;,           > A8 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012CE95662D0, 16 bytes long.
 Data: < ZV&#233;,           > 80 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012CE9566A00, 16 bytes long.
 Data: <XZV&#233;,           > 58 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000012CE9566640, 16 bytes long.
 Data: <0ZV&#233;,           > 30 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012CE9564EB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000012CE9566410, 16 bytes long.
 Data: <&#168;&#245;T&#233;,           > A8 F5 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012CE955DF90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000012CE9566000, 16 bytes long.
 Data: < &#245;T&#233;,           > 80 F5 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012CE9565F10, 16 bytes long.
 Data: <X&#245;T&#233;,           > 58 F5 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000012CE9566AF0, 16 bytes long.
 Data: <0&#245;T&#233;,           > 30 F5 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000012CE9565E70, 16 bytes long.
 Data: < &#245;T&#233;,           > 08 F5 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012CE9565C40, 16 bytes long.
 Data: <&#224;&#244;T&#233;,           > E0 F4 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012CE95666E0, 16 bytes long.
 Data: <&#184;&#244;T&#233;,           > B8 F4 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012CE955DAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000012CE95663C0, 16 bytes long.
 Data: < &#244;T&#233;,           > 90 F4 54 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012CE954F490, 320 bytes long.
 Data: <&#192;cV&#233;,   &#176;&#218;U&#233;,   > C0 63 56 E9 2C 01 00 00 B0 DA 55 E9 2C 01 00 00 
{278} normal block at 0x0000012CE9566280, 16 bytes long.
 Data: < ZV&#233;,           > 10 5A 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000012CE9566370, 16 bytes long.
 Data: <&#232;YV&#233;,           > E8 59 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012CE955D5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000012CE95661E0, 16 bytes long.
 Data: <&#192;YV&#233;,           > C0 59 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012CE955D9F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000012CE9566190, 16 bytes long.
 Data: < YV&#233;,           > 08 59 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000012CE9566230, 16 bytes long.
 Data: <&#224;XV&#233;,           > E0 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012CE9565FB0, 16 bytes long.
 Data: <&#184;XV&#233;,           > B8 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000012CE9566460, 16 bytes long.
 Data: < XV&#233;,           > 90 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012CE9566140, 16 bytes long.
 Data: <hXV&#233;,           > 68 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012CE955EE60, 16 bytes long.
 Data: <@XV&#233;,           > 40 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012CE955FC70, 16 bytes long.
 Data: <0KV&#233;,           > 30 4B 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012CE9564B30, 40 bytes long.
 Data: <p&#252;U&#233;,    &#183;<&#235;,   > 70 FC 55 E9 2C 01 00 00 10 B7 3C EB 2C 01 00 00 
{264} normal block at 0x0000012CE955EE10, 16 bytes long.
 Data: < XV&#233;,           > 20 58 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012CE955F270, 16 bytes long.
 Data: <&#248;WV&#233;,           > F8 57 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012CE955E1D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000012CE955F720, 16 bytes long.
 Data: <&#208;WV&#233;,           > D0 57 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012CE95657D0, 992 bytes long.
 Data: < &#247;U&#233;,   &#208;&#225;U&#233;,   > 20 F7 55 E9 2C 01 00 00 D0 E1 55 E9 2C 01 00 00 
{96} normal block at 0x0000012CE955DCF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000012CE955F1D0, 16 bytes long.
 Data: < OV&#233;,           > 20 4F 56 E9 2C 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000012CE9564F20, 40 bytes long.
 Data: <&#208;&#241;U&#233;,   &#240;&#220;U&#233;,   > D0 F1 55 E9 2C 01 00 00 F0 DC 55 E9 2C 01 00 00 
{73} normal block at 0x0000012CE955FD60, 16 bytes long.
 Data: < &#234;&#219;L&#246;           > 80 EA DB 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000012CE955EF50, 16 bytes long.
 Data: <@&#233;&#219;L&#246;           > 40 E9 DB 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000012CE955F9F0, 16 bytes long.
 Data: <&#248;W&#216;L&#246;           > F8 57 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000012CE955F630, 16 bytes long.
 Data: <&#216;W&#216;L&#246;           > D8 57 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012CE955F770, 16 bytes long.
 Data: <P &#216;L&#246;           > 50 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012CE955FB80, 16 bytes long.
 Data: <0 &#216;L&#246;           > 30 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012CE955F5E0, 16 bytes long.
 Data: <&#224; &#216;L&#246;           > E0 02 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012CE955F3B0, 16 bytes long.
 Data: <  &#216;L&#246;           > 10 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012CE955F810, 16 bytes long.
 Data: <p &#216;L&#246;           > 70 04 D8 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012CE955F310, 16 bytes long.
 Data: < &#192;&#214;L&#246;           > 18 C0 D6 4C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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