Task 38697608

Name test_416-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8019_0
Workunit 31638171
Created 1 Nov 2026, 18:11:42 UTC
Sent 1 Nov 2026, 18:11:45 UTC
Report deadline 6 Nov 2026, 18:11:45 UTC
Received 1 Nov 2026, 19:22:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550371
Run time 52 min 20 sec
CPU time 50 min 7 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 737.38 MB
Peak swap size 12.90 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:30:56 (7436): wrapper (7.9.26016): starting
13:30:56 (7436): 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
13:30:58 (7436): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:30:58 (7436): 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 'D:\ProgramData\BOINC\slots\19\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 'D:\ProgramData\BOINC\slots\19\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
14:21:29 (7436): C:/Windows/system32/cmd.exe exited; CPU time 3007.421875
14:21:29 (7436): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 64672901 bytes.
Dumping objects ->
{3835311} normal block at 0x00000266D556ECA0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x00000266D556EED0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x00000266D556EF40, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x00000266D556EC30, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000266D37A6880, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x00000266D55BA010, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000266D37FED00, 139 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) : {3835222} normal block at 0x00000266D379D730, 8 bytes long.
 Data: <  &#200;&#211;f   > 00 00 C8 D3 66 02 00 00 
{3834594} normal block at 0x00000266D37FEB60, 139 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 0x00000266D379DC30, 8 bytes long.
 Data: <P]d&#213;f   > 50 5D 64 D5 66 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000266D37A0EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000266D378EC70, 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 0x00000266D37A7480, 16 bytes long.
 Data: < &#131;z&#211;f           > 08 83 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000266D37A7C50, 16 bytes long.
 Data: <&#224;&#130;z&#211;f           > E0 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000266D379F800, 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 0x00000266D37A7840, 16 bytes long.
 Data: <&#184;&#130;z&#211;f           > B8 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000266D37A7E30, 16 bytes long.
 Data: < &#130;z&#211;f           > 90 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000266D37A7DE0, 16 bytes long.
 Data: <h&#130;z&#211;f           > 68 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000266D37A7E80, 16 bytes long.
 Data: <@&#130;z&#211;f           > 40 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000266D37A6C00, 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 0x00000266D37A7C00, 16 bytes long.
 Data: <&#232;&#142;y&#211;f           > E8 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000266D379F8C0, 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 0x00000266D37A7430, 16 bytes long.
 Data: <&#192;&#142;y&#211;f           > C0 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000266D37A7930, 16 bytes long.
 Data: < &#142;y&#211;f           > 98 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000266D37A7BB0, 16 bytes long.
 Data: <p&#142;y&#211;f           > 70 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000266D37A7390, 16 bytes long.
 Data: <H&#142;y&#211;f           > 48 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000266D37A7B60, 16 bytes long.
 Data: < &#142;y&#211;f           > 20 8E 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000266D37A7340, 16 bytes long.
 Data: <&#248; y&#211;f           > F8 8D 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000266D379F5C0, 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 0x00000266D37A72A0, 16 bytes long.
 Data: <&#208; y&#211;f           > D0 8D 79 D3 66 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000266D3798DD0, 320 bytes long.
 Data: <&#160;rz&#211;f   &#192;&#245;y&#211;f   > A0 72 7A D3 66 02 00 00 C0 F5 79 D3 66 02 00 00 
{283} normal block at 0x00000266D37A74D0, 16 bytes long.
 Data: < &#130;z&#211;f           > 20 82 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000266D37A73E0, 16 bytes long.
 Data: <&#248; z&#211;f           > F8 81 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000266D379F380, 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 0x00000266D37A7F20, 16 bytes long.
 Data: <&#208; z&#211;f           > D0 81 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000266D379F7A0, 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 0x00000266D37A7520, 16 bytes long.
 Data: <  z&#211;f           > 18 81 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000266D37A7700, 16 bytes long.
 Data: <&#240; z&#211;f           > F0 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000266D37A72F0, 16 bytes long.
 Data: <&#200; z&#211;f           > C8 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000266D37A7B10, 16 bytes long.
 Data: <&#160; z&#211;f           > A0 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000266D37A7200, 16 bytes long.
 Data: <x z&#211;f           > 78 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000266D37A76B0, 16 bytes long.
 Data: <P z&#211;f           > 50 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000266D37A7ED0, 16 bytes long.
 Data: <Pfz&#211;f           > 50 66 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000266D37A6650, 40 bytes long.
 Data: <&#208;~z&#211;f    &#160;[&#213;f   > D0 7E 7A D3 66 02 00 00 10 A0 5B D5 66 02 00 00 
{269} normal block at 0x00000266D37A71B0, 16 bytes long.
 Data: <0 z&#211;f           > 30 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000266D37A7890, 16 bytes long.
 Data: <  z&#211;f           > 08 80 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000266D379F620, 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 0x00000266D37A77F0, 16 bytes long.
 Data: <&#224; z&#211;f           > E0 7F 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000266D37A7FE0, 992 bytes long.
 Data: <&#240;wz&#211;f    &#246;y&#211;f   > F0 77 7A D3 66 02 00 00 20 F6 79 D3 66 02 00 00 
{101} normal block at 0x00000266D379F560, 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 0x00000266D379D320, 16 bytes long.
 Data: <&#240;hz&#211;f           > F0 68 7A D3 66 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000266D37A68F0, 40 bytes long.
 Data: < &#211;y&#211;f   `&#245;y&#211;f   > 20 D3 79 D3 66 02 00 00 60 F5 79 D3 66 02 00 00 
{78} normal block at 0x00000266D379DD70, 16 bytes long.
 Data: < &#234;&#156;`&#247;           > 80 EA 9C 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000266D379D460, 16 bytes long.
 Data: <@&#233;&#156;`&#247;           > 40 E9 9C 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000266D379D550, 16 bytes long.
 Data: <&#248;W `&#247;           > F8 57 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000266D379D4B0, 16 bytes long.
 Data: <&#216;W `&#247;           > D8 57 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000266D379D870, 16 bytes long.
 Data: <P  `&#247;           > 50 04 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000266D379DDC0, 16 bytes long.
 Data: <0  `&#247;           > 30 04 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000266D379D230, 16 bytes long.
 Data: <&#224;  `&#247;           > E0 02 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000266D379D1E0, 16 bytes long.
 Data: <   `&#247;           > 10 04 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000266D379D410, 16 bytes long.
 Data: <p  `&#247;           > 70 04 99 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000266D379DF00, 16 bytes long.
 Data: < &#192;&#151;`&#247;           > 18 C0 97 60 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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