Task 38685559

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND0684_0
Workunit 31627023
Created 27 Oct 2026, 21:41:54 UTC
Sent 27 Oct 2026, 21:42:03 UTC
Report deadline 1 Nov 2026, 21:42:03 UTC
Received 27 Oct 2026, 22:47:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 36 min 9 sec
CPU time 34 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,933.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.06 MB
Peak swap size 6.88 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:03:07 (6732): wrapper (7.9.26016): starting
18:03:07 (6732): 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
18:03:08 (6732): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:03:08 (6732): 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\7\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\7\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
18:37:51 (6732): C:/Windows/system32/cmd.exe exited; CPU time 2047.796875
18:37:51 (6732): 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: 35698049 bytes.
Dumping objects ->
{3835185} normal block at 0x000001AF8FAD47D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835174} normal block at 0x000001AF8FAD4DF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x000001AF8FAD4B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835152} normal block at 0x000001AF8FAD4BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x000001AF8FAD4AE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835110} normal block at 0x000001AF91713440, 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) : {3835097} normal block at 0x000001AF8FAD0AA0, 8 bytes long.
 Data: <  &#234; &#175;   > 00 00 EA 8F AF 01 00 00 
{3833953} normal block at 0x000001AF8FAD0A50, 8 bytes long.
 Data: <0&#161;&#175; &#175;   > 30 A1 AF 8F AF 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001AF8FACEB70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001AF8FAC52F0, 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 0x000001AF8FAD6100, 16 bytes long.
 Data: <&#200;f&#173; &#175;           > C8 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AF8FAD5D90, 16 bytes long.
 Data: <&#160;f&#173; &#175;           > A0 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AF8FAD0060, 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 0x000001AF8FAD54D0, 16 bytes long.
 Data: <xf&#173; &#175;           > 78 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AF8FAD5ED0, 16 bytes long.
 Data: <Pf&#173; &#175;           > 50 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AF8FAD5A20, 16 bytes long.
 Data: <(f&#173; &#175;           > 28 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001AF8FAD5520, 16 bytes long.
 Data: < f&#173; &#175;           > 00 66 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AF8FAD4D80, 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 0x000001AF8FAD5E80, 16 bytes long.
 Data: < &#227;&#172; &#175;           > 08 E3 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AF8FACF820, 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 0x000001AF8FAD5610, 16 bytes long.
 Data: <&#224;&#226;&#172; &#175;           > E0 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AF8FAD5F70, 16 bytes long.
 Data: <&#184;&#226;&#172; &#175;           > B8 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AF8FAD5BB0, 16 bytes long.
 Data: < &#226;&#172; &#175;           > 90 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001AF8FAD5C00, 16 bytes long.
 Data: <h&#226;&#172; &#175;           > 68 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AF8FAD5D40, 16 bytes long.
 Data: <@&#226;&#172; &#175;           > 40 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AF8FAD60B0, 16 bytes long.
 Data: < &#226;&#172; &#175;           > 18 E2 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AF8FACFB80, 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 0x000001AF8FAD5B10, 16 bytes long.
 Data: <&#240;&#225;&#172; &#175;           > F0 E1 AC 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AF8FACE1F0, 320 bytes long.
 Data: < [&#173; &#175;    &#251;&#172; &#175;   > 10 5B AD 8F AF 01 00 00 80 FB AC 8F AF 01 00 00 
{272} normal block at 0x000001AF8FAD5E30, 16 bytes long.
 Data: <&#224;e&#173; &#175;           > E0 65 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001AF8FAD62E0, 16 bytes long.
 Data: <&#184;e&#173; &#175;           > B8 65 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AF8FACFFA0, 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 0x000001AF8FAD6290, 16 bytes long.
 Data: < e&#173; &#175;           > 90 65 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AF8FACFD60, 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 0x000001AF8FAD57F0, 16 bytes long.
 Data: <&#216;d&#173; &#175;           > D8 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AF8FAD55C0, 16 bytes long.
 Data: <&#176;d&#173; &#175;           > B0 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AF8FAD5F20, 16 bytes long.
 Data: < d&#173; &#175;           > 88 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AF8FAD6240, 16 bytes long.
 Data: <`d&#173; &#175;           > 60 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AF8FAD61A0, 16 bytes long.
 Data: <8d&#173; &#175;           > 38 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AF8FAD5DE0, 16 bytes long.
 Data: < d&#173; &#175;           > 10 64 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AF8FAD5B60, 16 bytes long.
 Data: <@H&#173; &#175;           > 40 48 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AF8FAD4840, 40 bytes long.
 Data: <`[&#173; &#175;   @4q&#145;&#175;   > 60 5B AD 8F AF 01 00 00 40 34 71 91 AF 01 00 00 
{258} normal block at 0x000001AF8FAD5C50, 16 bytes long.
 Data: <&#240;c&#173; &#175;           > F0 63 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AF8FAD53E0, 16 bytes long.
 Data: <&#200;c&#173; &#175;           > C8 63 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AF8FACF520, 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 0x000001AF8FAD5AC0, 16 bytes long.
 Data: <&#160;c&#173; &#175;           > A0 63 AD 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AF8FAD63A0, 992 bytes long.
 Data: <&#192;Z&#173; &#175;    &#245;&#172; &#175;   > C0 5A AD 8F AF 01 00 00 20 F5 AC 8F AF 01 00 00 
{90} normal block at 0x000001AF8FACF760, 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 0x000001AF8FAD0910, 16 bytes long.
 Data: < &#238;&#171; &#175;           > 10 EE AB 8F AF 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001AF8FABEE10, 40 bytes long.
 Data: < 	&#173; &#175;   `&#247;&#172; &#175;   > 10 09 AD 8F AF 01 00 00 60 F7 AC 8F AF 01 00 00 
{67} normal block at 0x000001AF8FAD04B0, 16 bytes long.
 Data: < &#234;&#166; &#246;           > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AF8FAD0550, 16 bytes long.
 Data: <@&#233;&#166; &#246;           > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AF8FAD1090, 16 bytes long.
 Data: <&#248;W&#163; &#246;           > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AF8FAD1360, 16 bytes long.
 Data: <&#216;W&#163; &#246;           > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AF8FAD0C30, 16 bytes long.
 Data: <P &#163; &#246;           > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AF8FAD0460, 16 bytes long.
 Data: <0 &#163; &#246;           > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AF8FAD0DC0, 16 bytes long.
 Data: <&#224; &#163; &#246;           > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AF8FAD1270, 16 bytes long.
 Data: <  &#163; &#246;           > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AF8FAD0410, 16 bytes long.
 Data: <p &#163; &#246;           > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AF8FAD10E0, 16 bytes long.
 Data: < &#192;&#161; &#246;           > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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