Task 38676571

Name test_125-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND9807_0
Workunit 31618475
Created 26 Oct 2026, 11:42:43 UTC
Sent 26 Oct 2026, 11:42:49 UTC
Report deadline 31 Oct 2026, 11:42:49 UTC
Received 26 Oct 2026, 13:20:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 32 min 34 sec
CPU time 31 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.22 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:48:31 (30536): wrapper (7.9.26016): starting
07:48:31 (30536): 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
07:48:32 (30536): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:48:32 (30536): 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\0\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\0\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
08:20:37 (30536): C:/Windows/system32/cmd.exe exited; CPU time 1902.890625
08:20:37 (30536): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 29742369 bytes.
Dumping objects ->
{3835546} normal block at 0x000002EC8CFDF390, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002EC8B1A6CA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000002EC8B1A6C30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000002EC8B1A6BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002EC8B1A6B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000002EC8D0281D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002EC8D040CB0, 102 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) : {3835457} normal block at 0x000002EC8B1A0920, 8 bytes long.
 Data: <  i&#139;&#236;   > 00 00 69 8B EC 02 00 00 
{3834682} normal block at 0x000002EC8D0403C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002EC8B1A1140, 8 bytes long.
 Data: <&#224;] &#139;&#236;   > E0 5D 1A 8B EC 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002EC8B1A2DE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EC8B198A60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002EC8B1A82A0, 16 bytes long.
 Data: < &#134; &#139;&#236;           > 88 86 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002EC8B1A74E0, 16 bytes long.
 Data: <`&#134; &#139;&#236;           > 60 86 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EC8B1A2090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002EC8B1A7A30, 16 bytes long.
 Data: <8&#134; &#139;&#236;           > 38 86 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002EC8B1A7AD0, 16 bytes long.
 Data: < &#134; &#139;&#236;           > 10 86 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EC8B1A7670, 16 bytes long.
 Data: <&#232;&#133; &#139;&#236;           > E8 85 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002EC8B1A7DF0, 16 bytes long.
 Data: <&#192;&#133; &#139;&#236;           > C0 85 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EC8B1A6990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002EC8B1A7B20, 16 bytes long.
 Data: <xn &#139;&#236;           > 78 6E 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002EC8B1A1AF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002EC8B1A8160, 16 bytes long.
 Data: <Pn &#139;&#236;           > 50 6E 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EC8B1A7990, 16 bytes long.
 Data: <(n &#139;&#236;           > 28 6E 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EC8B1A7710, 16 bytes long.
 Data: < n &#139;&#236;           > 00 6E 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EC8B1A8110, 16 bytes long.
 Data: <&#216;m &#139;&#236;           > D8 6D 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EC8B1A78F0, 16 bytes long.
 Data: <&#176;m &#139;&#236;           > B0 6D 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002EC8B1A7490, 16 bytes long.
 Data: < m &#139;&#236;           > 88 6D 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EC8B1A18B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002EC8B1A73F0, 16 bytes long.
 Data: <`m &#139;&#236;           > 60 6D 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EC8B1A6D60, 320 bytes long.
 Data: <&#240;s &#139;&#236;   &#176;  &#139;&#236;   > F0 73 1A 8B EC 02 00 00 B0 18 1A 8B EC 02 00 00 
{274} normal block at 0x000002EC8B1A7440, 16 bytes long.
 Data: <&#160;&#133; &#139;&#236;           > A0 85 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002EC8B1A78A0, 16 bytes long.
 Data: <x&#133; &#139;&#236;           > 78 85 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EC8B1A2510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002EC8B1A7850, 16 bytes long.
 Data: <P&#133; &#139;&#236;           > 50 85 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EC8B1A1EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002EC8B1A8020, 16 bytes long.
 Data: < &#132; &#139;&#236;           > 98 84 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EC8B1A79E0, 16 bytes long.
 Data: <p&#132; &#139;&#236;           > 70 84 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EC8B1A8250, 16 bytes long.
 Data: <H&#132; &#139;&#236;           > 48 84 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EC8B1A7DA0, 16 bytes long.
 Data: < &#132; &#139;&#236;           > 20 84 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002EC8B1A7D00, 16 bytes long.
 Data: <&#248;&#131; &#139;&#236;           > F8 83 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EC8B1A8200, 16 bytes long.
 Data: <&#208;&#131; &#139;&#236;           > D0 83 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002EC8B1A7940, 16 bytes long.
 Data: <&#176;h &#139;&#236;           > B0 68 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EC8B1A68B0, 40 bytes long.
 Data: <@y &#139;&#236;   &#208;   &#236;   > 40 79 1A 8B EC 02 00 00 D0 81 02 8D EC 02 00 00 
{260} normal block at 0x000002EC8B1A77B0, 16 bytes long.
 Data: <&#176;&#131; &#139;&#236;           > B0 83 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002EC8B1A80C0, 16 bytes long.
 Data: < &#131; &#139;&#236;           > 88 83 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002EC8B1A20F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002EC8B1A81B0, 16 bytes long.
 Data: <`&#131; &#139;&#236;           > 60 83 1A 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002EC8B1A8360, 992 bytes long.
 Data: <&#176;  &#139;&#236;   &#240;  &#139;&#236;   > B0 81 1A 8B EC 02 00 00 F0 20 1A 8B EC 02 00 00 
{92} normal block at 0x000002EC8B1A24B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002EC8B1A0790, 16 bytes long.
 Data: <&#176;&#233; &#139;&#236;           > B0 E9 18 8B EC 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002EC8B18E9B0, 40 bytes long.
 Data: <   &#139;&#236;   &#176;$ &#139;&#236;   > 90 07 1A 8B EC 02 00 00 B0 24 1A 8B EC 02 00 00 
{69} normal block at 0x000002EC8B1A10F0, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EC8B1A0D30, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EC8B1A0E20, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EC8B1A1190, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EC8B1A0CE0, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EC8B1A08D0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002EC8B1A0880, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002EC8B1A0BF0, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002EC8B1A0B00, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002EC8B1A0C40, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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