Task 38685927

Name test_213-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4161_0
Workunit 31627380
Created 27 Oct 2026, 23:42:45 UTC
Sent 27 Oct 2026, 23:42:51 UTC
Report deadline 1 Nov 2026, 23:42:51 UTC
Received 28 Oct 2026, 1:46:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653248
Run time 35 min 21 sec
CPU time 33 min 44 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 731.08 MB
Peak swap size 6.90 GB
Peak disk usage 3.78 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:02:52 (12856): wrapper (7.9.26016): starting
21:02:52 (12856): 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
21:02:53 (12856): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:02:53 (12856): 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
21:36:58 (12856): C:/Windows/system32/cmd.exe exited; CPU time 2024.859375
21:36:58 (12856): 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: 35100867 bytes.
Dumping objects ->
{3835185} normal block at 0x00000251E75F4A20, 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 0x00000251E75F49B0, 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 0x00000251E75F4940, 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 0x00000251E75F4860, 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 0x00000251E75F47F0, 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 0x00000251E92AAB80, 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 0x00000251E75F0BA0, 8 bytes long.
 Data: <   &#233;Q   > 00 00 18 E9 51 02 00 00 
{3833953} normal block at 0x00000251E75F0D80, 8 bytes long.
 Data: < &#235;l&#231;Q   > 80 EB 6C E7 51 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000251E75EE680, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000251E75E5C40, 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 0x00000251E75F5300, 16 bytes long.
 Data: < e_&#231;Q           > 98 65 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000251E75F5440, 16 bytes long.
 Data: <pe_&#231;Q           > 70 65 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000251E75EFA50, 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 0x00000251E75F5DA0, 16 bytes long.
 Data: <He_&#231;Q           > 48 65 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000251E75F5EE0, 16 bytes long.
 Data: < e_&#231;Q           > 20 65 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000251E75F5E90, 16 bytes long.
 Data: <&#248;d_&#231;Q           > F8 64 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000251E75F6160, 16 bytes long.
 Data: <&#208;d_&#231;Q           > D0 64 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000251E75F4780, 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 0x00000251E75F5580, 16 bytes long.
 Data: <(&#242;]&#231;Q           > 28 F2 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000251E75EFDB0, 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 0x00000251E75F5670, 16 bytes long.
 Data: < &#242;]&#231;Q           > 00 F2 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000251E75F5AD0, 16 bytes long.
 Data: <&#216;&#241;]&#231;Q           > D8 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000251E75F58A0, 16 bytes long.
 Data: <&#176;&#241;]&#231;Q           > B0 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000251E75F54E0, 16 bytes long.
 Data: < &#241;]&#231;Q           > 88 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000251E75F5D50, 16 bytes long.
 Data: <`&#241;]&#231;Q           > 60 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000251E75F6110, 16 bytes long.
 Data: <8&#241;]&#231;Q           > 38 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000251E75EFD50, 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 0x00000251E75F5A30, 16 bytes long.
 Data: < &#241;]&#231;Q           > 10 F1 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000251E75DF110, 320 bytes long.
 Data: <0Z_&#231;Q   P&#253;^&#231;Q   > 30 5A 5F E7 51 02 00 00 50 FD 5E E7 51 02 00 00 
{272} normal block at 0x00000251E75F5490, 16 bytes long.
 Data: <&#176;d_&#231;Q           > B0 64 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000251E75F5A80, 16 bytes long.
 Data: < d_&#231;Q           > 88 64 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000251E75EF870, 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 0x00000251E75F5530, 16 bytes long.
 Data: <`d_&#231;Q           > 60 64 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000251E75EF990, 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 0x00000251E75F5CB0, 16 bytes long.
 Data: <&#168;c_&#231;Q           > A8 63 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000251E75F5DF0, 16 bytes long.
 Data: < c_&#231;Q           > 80 63 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000251E75F59E0, 16 bytes long.
 Data: <Xc_&#231;Q           > 58 63 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000251E75F5990, 16 bytes long.
 Data: <0c_&#231;Q           > 30 63 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000251E75F5940, 16 bytes long.
 Data: < c_&#231;Q           > 08 63 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000251E75F5C60, 16 bytes long.
 Data: <&#224;b_&#231;Q           > E0 62 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000251E75F53F0, 16 bytes long.
 Data: < K_&#231;Q           > 00 4B 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000251E75F4B00, 40 bytes long.
 Data: <&#240;S_&#231;Q    &#171;*&#233;Q   > F0 53 5F E7 51 02 00 00 80 AB 2A E9 51 02 00 00 
{258} normal block at 0x00000251E75F5D00, 16 bytes long.
 Data: <&#192;b_&#231;Q           > C0 62 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000251E75F5BC0, 16 bytes long.
 Data: < b_&#231;Q           > 98 62 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000251E75EF6F0, 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 0x00000251E75F5B70, 16 bytes long.
 Data: <pb_&#231;Q           > 70 62 5F E7 51 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000251E75F6270, 992 bytes long.
 Data: <p[_&#231;Q   &#240;&#246;^&#231;Q   > 70 5B 5F E7 51 02 00 00 F0 F6 5E E7 51 02 00 00 
{90} normal block at 0x00000251E75F01D0, 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 0x00000251E75F0600, 16 bytes long.
 Data: < &#238;]&#231;Q           > 10 EE 5D E7 51 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000251E75DEE10, 40 bytes long.
 Data: <  _&#231;Q   &#208; _&#231;Q   > 00 06 5F E7 51 02 00 00 D0 01 5F E7 51 02 00 00 
{67} normal block at 0x00000251E75F0470, 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 0x00000251E75F0F60, 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 0x00000251E75F06A0, 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 0x00000251E75F0970, 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 0x00000251E75F0AB0, 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 0x00000251E75F0BF0, 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 0x00000251E75F0790, 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 0x00000251E75F0560, 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 0x00000251E75F0330, 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 0x00000251E75F0E70, 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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