Task 38683143

Name test_99-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0292_0
Workunit 31624722
Created 27 Oct 2026, 10:37:05 UTC
Sent 27 Oct 2026, 10:37:12 UTC
Report deadline 1 Nov 2026, 10:37:12 UTC
Received 27 Oct 2026, 11:51:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 47 sec
CPU time 22 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.30 MB
Peak swap size 13.04 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:27:20 (39200): wrapper (7.9.26016): starting
13:27:20 (39200): 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
13:27:21 (39200): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:27:21 (39200): 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\27\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\27\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
13:51:13 (39200): C:/Windows/system32/cmd.exe exited; CPU time 1348.296875
13:51:13 (39200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 27838885 bytes.
Dumping objects ->
{3835575} normal block at 0x00000178DEAFD920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000178DEAFD7D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x00000178DEAFD530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x00000178DEAFD8B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000178DCDC4F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x00000178DEB44330, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x00000178DCE2A4C0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x00000178DCDBB570, 8 bytes long.
 Data: <  &#212;&#220;x   > 00 00 D4 DC 78 01 00 00 
{3834707} normal block at 0x00000178DCE2A3F0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x00000178DCDBAD50, 8 bytes long.
 Data: <@&#222;&#218;&#220;x   > 40 DE DA DC 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000178DCDC21F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000178DCDB6A50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x00000178DCDC5FF0, 16 bytes long.
 Data: <xn&#220;&#220;x           > 78 6E DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000178DCDC5FA0, 16 bytes long.
 Data: <Pn&#220;&#220;x           > 50 6E DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000178DCDBE9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x00000178DCDC5EB0, 16 bytes long.
 Data: <(n&#220;&#220;x           > 28 6E DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000178DCDC5DC0, 16 bytes long.
 Data: < n&#220;&#220;x           > 00 6E DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000178DCDC6AE0, 16 bytes long.
 Data: <&#216;m&#220;&#220;x           > D8 6D DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000178DCDC5B90, 16 bytes long.
 Data: <&#176;m&#220;&#220;x           > B0 6D DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000178DCDC55A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x00000178DCDC6680, 16 bytes long.
 Data: <&#168;&#249;&#218;&#220;x           > A8 F9 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000178DCDBF4C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x00000178DCDC5CD0, 16 bytes long.
 Data: < &#249;&#218;&#220;x           > 80 F9 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000178DCDC6A90, 16 bytes long.
 Data: <X&#249;&#218;&#220;x           > 58 F9 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000178DCDC5E60, 16 bytes long.
 Data: <0&#249;&#218;&#220;x           > 30 F9 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000178DCDC5D70, 16 bytes long.
 Data: < &#249;&#218;&#220;x           > 08 F9 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000178DCDC5F50, 16 bytes long.
 Data: <&#224;&#248;&#218;&#220;x           > E0 F8 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000178DCDC6630, 16 bytes long.
 Data: <&#184;&#248;&#218;&#220;x           > B8 F8 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000178DCDBF040, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x00000178DCDC69A0, 16 bytes long.
 Data: < &#248;&#218;&#220;x           > 90 F8 DA DC 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000178DCDAF890, 320 bytes long.
 Data: <&#160;i&#220;&#220;x   @&#240;&#219;&#220;x   > A0 69 DC DC 78 01 00 00 40 F0 DB DC 78 01 00 00 
{283} normal block at 0x00000178DCDC5C80, 16 bytes long.
 Data: < m&#220;&#220;x           > 90 6D DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000178DCDC60E0, 16 bytes long.
 Data: <hm&#220;&#220;x           > 68 6D DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000178DCDBEFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x00000178DCDC65E0, 16 bytes long.
 Data: <@m&#220;&#220;x           > 40 6D DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000178DCDBEB60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x00000178DCDC5E10, 16 bytes long.
 Data: < l&#220;&#220;x           > 88 6C DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000178DCDC5C30, 16 bytes long.
 Data: <`l&#220;&#220;x           > 60 6C DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000178DCDC6590, 16 bytes long.
 Data: <8l&#220;&#220;x           > 38 6C DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000178DCDC69F0, 16 bytes long.
 Data: < l&#220;&#220;x           > 10 6C DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000178DCDC5BE0, 16 bytes long.
 Data: <&#232;k&#220;&#220;x           > E8 6B DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000178DCDC6310, 16 bytes long.
 Data: <&#192;k&#220;&#220;x           > C0 6B DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000178DCDC6A40, 16 bytes long.
 Data: <0U&#220;&#220;x           > 30 55 DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000178DCDC5530, 40 bytes long.
 Data: <@j&#220;&#220;x   0C&#180;&#222;x   > 40 6A DC DC 78 01 00 00 30 43 B4 DE 78 01 00 00 
{269} normal block at 0x00000178DCDC61D0, 16 bytes long.
 Data: <&#160;k&#220;&#220;x           > A0 6B DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000178DCDC6090, 16 bytes long.
 Data: <xk&#220;&#220;x           > 78 6B DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000178DCDBEB00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x00000178DCDC6810, 16 bytes long.
 Data: <Pk&#220;&#220;x           > 50 6B DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000178DCDC6B50, 992 bytes long.
 Data: < h&#220;&#220;x    &#235;&#219;&#220;x   > 10 68 DC DC 78 01 00 00 00 EB DB DC 78 01 00 00 
{101} normal block at 0x00000178DCDBF160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x00000178DCDBA9E0, 16 bytes long.
 Data: <&#192;T&#220;&#220;x           > C0 54 DC DC 78 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000178DCDC54C0, 40 bytes long.
 Data: <&#224;&#169;&#219;&#220;x   `&#241;&#219;&#220;x   > E0 A9 DB DC 78 01 00 00 60 F1 DB DC 78 01 00 00 
{78} normal block at 0x00000178DCDBB200, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000178DCDBADF0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000178DCDBA8A0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000178DCDBA990, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000178DCDBB1B0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000178DCDBAC60, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000178DCDBB520, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000178DCDBB250, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000178DCDBB660, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000178DCDBB7F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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