Task 38688612

Name test_701-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND4332_1
Workunit 31629934
Created 28 Oct 2026, 15:05:01 UTC
Sent 28 Oct 2026, 15:05:07 UTC
Report deadline 2 Nov 2026, 15:05:07 UTC
Received 28 Oct 2026, 19:27:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652619
Run time 1 hours 37 min 36 sec
CPU time 1 hours 33 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.13 MB
Peak swap size 8.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:50:57 (6772): wrapper (7.9.26016): starting
01:50:57 (6772): 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
01:50:59 (6772): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:50:59 (6772): 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\3\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\3\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
03:27:13 (6772): C:/Windows/system32/cmd.exe exited; CPU time 5601.890625
03:27:13 (6772): 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: 86929953 bytes.
Dumping objects ->
{3835481} normal block at 0x0000024AE79CE2C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000024AE5DE45C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000024AE5DE4630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x0000024AE5DE4550, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000024AE5DE44E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x0000024AE79FADD0, 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) : {3835393} normal block at 0x0000024AE5DDEC70, 8 bytes long.
 Data: <  v&#231;J   > 00 00 76 E7 4A 02 00 00 
{3833953} normal block at 0x0000024AE5DDF1C0, 8 bytes long.
 Data: <` &#169;&#231;J   > 60 7F A9 E7 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000024AE5DE0220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024AE5DD59A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000024AE5DE53C0, 16 bytes long.
 Data: <(M&#222;&#229;J           > 28 4D DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024AE5DE4E70, 16 bytes long.
 Data: < M&#222;&#229;J           > 00 4D DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024AE5DDE980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000024AE5DE5640, 16 bytes long.
 Data: <&#216;L&#222;&#229;J           > D8 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024AE5DE5910, 16 bytes long.
 Data: <&#176;L&#222;&#229;J           > B0 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024AE5DE5C30, 16 bytes long.
 Data: < L&#222;&#229;J           > 88 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024AE5DE5BE0, 16 bytes long.
 Data: <`L&#222;&#229;J           > 60 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024AE5DE46A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000024AE5DE5370, 16 bytes long.
 Data: <x&#217;&#221;&#229;J           > 78 D9 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024AE5DDE2C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000024AE5DE5280, 16 bytes long.
 Data: <P&#217;&#221;&#229;J           > 50 D9 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024AE5DE4FB0, 16 bytes long.
 Data: <(&#217;&#221;&#229;J           > 28 D9 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024AE5DE50F0, 16 bytes long.
 Data: < &#217;&#221;&#229;J           > 00 D9 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024AE5DE55F0, 16 bytes long.
 Data: <&#216;&#216;&#221;&#229;J           > D8 D8 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024AE5DE58C0, 16 bytes long.
 Data: <&#176;&#216;&#221;&#229;J           > B0 D8 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024AE5DE5320, 16 bytes long.
 Data: < &#216;&#221;&#229;J           > 88 D8 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024AE5DDDAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000024AE5DE5C80, 16 bytes long.
 Data: <`&#216;&#221;&#229;J           > 60 D8 DD E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024AE5DDD860, 320 bytes long.
 Data: < \&#222;&#229;J   &#224;&#218;&#221;&#229;J   > 80 5C DE E5 4A 02 00 00 E0 DA DD E5 4A 02 00 00 
{272} normal block at 0x0000024AE5DE5CD0, 16 bytes long.
 Data: <@L&#222;&#229;J           > 40 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024AE5DE52D0, 16 bytes long.
 Data: < L&#222;&#229;J           > 18 4C DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024AE5DDE740, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000024AE5DE50A0, 16 bytes long.
 Data: <&#240;K&#222;&#229;J           > F0 4B DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024AE5DDE140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000024AE5DE5190, 16 bytes long.
 Data: <8K&#222;&#229;J           > 38 4B DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024AE5DE5960, 16 bytes long.
 Data: < K&#222;&#229;J           > 10 4B DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024AE5DE5A50, 16 bytes long.
 Data: <&#232;J&#222;&#229;J           > E8 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024AE5DDF490, 16 bytes long.
 Data: <&#192;J&#222;&#229;J           > C0 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024AE5DDF440, 16 bytes long.
 Data: < J&#222;&#229;J           > 98 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024AE5DDF170, 16 bytes long.
 Data: <pJ&#222;&#229;J           > 70 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024AE5DDEEA0, 16 bytes long.
 Data: <@I&#222;&#229;J           > 40 49 DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024AE5DE4940, 40 bytes long.
 Data: <&#160;&#238;&#221;&#229;J   &#208;&#173;&#159;&#231;J   > A0 EE DD E5 4A 02 00 00 D0 AD 9F E7 4A 02 00 00 
{258} normal block at 0x0000024AE5DDEDB0, 16 bytes long.
 Data: <PJ&#222;&#229;J           > 50 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024AE5DDEC20, 16 bytes long.
 Data: <(J&#222;&#229;J           > 28 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024AE5DDDBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000024AE5DDF3A0, 16 bytes long.
 Data: < J&#222;&#229;J           > 00 4A DE E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024AE5DE4A00, 992 bytes long.
 Data: <&#160;&#243;&#221;&#229;J   &#160;&#219;&#221;&#229;J   > A0 F3 DD E5 4A 02 00 00 A0 DB DD E5 4A 02 00 00 
{90} normal block at 0x0000024AE5DDE080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000024AE5DDF8F0, 16 bytes long.
 Data: <&#208;&#197;&#220;&#229;J           > D0 C5 DC E5 4A 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000024AE5DCC5D0, 40 bytes long.
 Data: <&#240;&#248;&#221;&#229;J    &#224;&#221;&#229;J   > F0 F8 DD E5 4A 02 00 00 80 E0 DD E5 4A 02 00 00 
{67} normal block at 0x0000024AE5DDF760, 16 bytes long.
 Data: < &#234;&#148;u&#246;           > 80 EA 94 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024AE5DDF030, 16 bytes long.
 Data: <@&#233;&#148;u&#246;           > 40 E9 94 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024AE5DDF0D0, 16 bytes long.
 Data: <&#248;W&#145;u&#246;           > F8 57 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024AE5DDF9E0, 16 bytes long.
 Data: <&#216;W&#145;u&#246;           > D8 57 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024AE5DDEA90, 16 bytes long.
 Data: <P &#145;u&#246;           > 50 04 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024AE5DDF580, 16 bytes long.
 Data: <0 &#145;u&#246;           > 30 04 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024AE5DDF800, 16 bytes long.
 Data: <&#224; &#145;u&#246;           > E0 02 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024AE5DDEEF0, 16 bytes long.
 Data: <  &#145;u&#246;           > 10 04 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024AE5DDEB80, 16 bytes long.
 Data: <p &#145;u&#246;           > 70 04 91 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024AE5DDF710, 16 bytes long.
 Data: < &#192; u&#246;           > 18 C0 8F 75 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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