Task 38686279

Name test_567-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2937_0
Workunit 31627716
Created 28 Oct 2026, 1:40:45 UTC
Sent 28 Oct 2026, 1:40:51 UTC
Report deadline 2 Nov 2026, 1:40:51 UTC
Received 28 Oct 2026, 3:04:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 20 min 49 sec
CPU time 20 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.59 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:40:43 (10472): wrapper (7.9.26016): starting
21:40:43 (10472): 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
21:40:44 (10472): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:40:44 (10472): 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
22:00:58 (10472): C:/Windows/system32/cmd.exe exited; CPU time 1232.812500
22:00:58 (10472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15213019 bytes.
Dumping objects ->
{3835569} normal block at 0x000002BFF3DC3D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000002BFF3DC4020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002BFF3DC3CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000002BFF3DC3ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000002BFF3DC41E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000002BFF5BE8230, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000002BFF3DC4310, 235 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) : {3835480} normal block at 0x000002BFF3DBF0B0, 8 bytes long.
 Data: <  &#212;&#243;&#191;   > 00 00 D4 F3 BF 02 00 00 
{3834703} normal block at 0x000002BFF3DC44A0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000002BFF3DBE480, 8 bytes long.
 Data: <&#240;$&#196;&#245;&#191;   > F0 24 C4 F5 BF 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002BFF3DC0680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BFF3DB5CF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002BFF3DC4890, 16 bytes long.
 Data: <H]&#220;&#243;&#191;           > 48 5D DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BFF3DC4D40, 16 bytes long.
 Data: < ]&#220;&#243;&#191;           > 20 5D DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BFF3DBF730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002BFF3DC4B60, 16 bytes long.
 Data: <&#248;\&#220;&#243;&#191;           > F8 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BFF3DC5100, 16 bytes long.
 Data: <&#208;\&#220;&#243;&#191;           > D0 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BFF3DC4C50, 16 bytes long.
 Data: <&#168;\&#220;&#243;&#191;           > A8 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BFF3DC5060, 16 bytes long.
 Data: < \&#220;&#243;&#191;           > 80 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BFF3DAC5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002BFF3DC4CF0, 16 bytes long.
 Data: < &#180;&#218;&#243;&#191;           > 08 B4 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BFF3DBF550, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002BFF3DC4660, 16 bytes long.
 Data: <&#224;&#179;&#218;&#243;&#191;           > E0 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BFF3DC51F0, 16 bytes long.
 Data: <&#184;&#179;&#218;&#243;&#191;           > B8 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BFF3DC53D0, 16 bytes long.
 Data: < &#179;&#218;&#243;&#191;           > 90 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BFF3DC5560, 16 bytes long.
 Data: <h&#179;&#218;&#243;&#191;           > 68 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BFF3DC5510, 16 bytes long.
 Data: <@&#179;&#218;&#243;&#191;           > 40 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BFF3DC4ED0, 16 bytes long.
 Data: < &#179;&#218;&#243;&#191;           > 18 B3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BFF3DBF370, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000002BFF3DC4840, 16 bytes long.
 Data: <&#240;&#178;&#218;&#243;&#191;           > F0 B2 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BFF3DAB2F0, 320 bytes long.
 Data: <@H&#220;&#243;&#191;   p&#243;&#219;&#243;&#191;   > 40 48 DC F3 BF 02 00 00 70 F3 DB F3 BF 02 00 00 
{273} normal block at 0x000002BFF3DC5470, 16 bytes long.
 Data: <`\&#220;&#243;&#191;           > 60 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BFF3DC51A0, 16 bytes long.
 Data: <8\&#220;&#243;&#191;           > 38 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BFF3DBF6D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002BFF3DC5010, 16 bytes long.
 Data: < \&#220;&#243;&#191;           > 10 5C DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BFF3DBF2B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002BFF3DC4FC0, 16 bytes long.
 Data: <X[&#220;&#243;&#191;           > 58 5B DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BFF3DC4B10, 16 bytes long.
 Data: <0[&#220;&#243;&#191;           > 30 5B DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BFF3DC5290, 16 bytes long.
 Data: < [&#220;&#243;&#191;           > 08 5B DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BFF3DC4700, 16 bytes long.
 Data: <&#224;Z&#220;&#243;&#191;           > E0 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BFF3DC50B0, 16 bytes long.
 Data: <&#184;Z&#220;&#243;&#191;           > B8 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BFF3DC4CA0, 16 bytes long.
 Data: < Z&#220;&#243;&#191;           > 90 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BFF3DC4F20, 16 bytes long.
 Data: <&#240;&#227;&#218;&#243;&#191;           > F0 E3 DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BFF3DAE3F0, 40 bytes long.
 Data: < O&#220;&#243;&#191;   0&#130;&#190;&#245;&#191;   > 20 4F DC F3 BF 02 00 00 30 82 BE F5 BF 02 00 00 
{259} normal block at 0x000002BFF3DC4F70, 16 bytes long.
 Data: <pZ&#220;&#243;&#191;           > 70 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BFF3DC5380, 16 bytes long.
 Data: <HZ&#220;&#243;&#191;           > 48 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BFF3DBF9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002BFF3DC4A20, 16 bytes long.
 Data: < Z&#220;&#243;&#191;           > 20 5A DC F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BFF3DC5A20, 992 bytes long.
 Data: < J&#220;&#243;&#191;   &#208;&#249;&#219;&#243;&#191;   > 20 4A DC F3 BF 02 00 00 D0 F9 DB F3 BF 02 00 00 
{91} normal block at 0x000002BFF3DBF910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002BFF3DBE5C0, 16 bytes long.
 Data: <&#160;&#219;&#218;&#243;&#191;           > A0 DB DA F3 BF 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002BFF3DADBA0, 40 bytes long.
 Data: <&#192;&#229;&#219;&#243;&#191;    &#249;&#219;&#243;&#191;   > C0 E5 DB F3 BF 02 00 00 10 F9 DB F3 BF 02 00 00 
{68} normal block at 0x000002BFF3DBEA70, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BFF3DBE610, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BFF3DBED40, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BFF3DBE340, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BFF3DBEDE0, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BFF3DBF060, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BFF3DBE7F0, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BFF3DBE2F0, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BFF3DBE7A0, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BFF3DBE430, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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