Task 38696067

Name test_872-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3636_0
Workunit 31636724
Created 31 Oct 2026, 18:44:44 UTC
Sent 31 Oct 2026, 18:44:46 UTC
Report deadline 5 Nov 2026, 18:44:46 UTC
Received 31 Oct 2026, 19:31:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654143
Run time 40 min 12 sec
CPU time 39 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,493.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 653.96 MB
Peak swap size 5.34 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:52:26 (15244): wrapper (7.9.26016): starting
19:52:26 (15244): 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
19:52:28 (15244): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:52:28 (15244): 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\6\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\6\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
20:31:36 (15244): C:/Windows/system32/cmd.exe exited; CPU time 2357.390625
20:31:36 (15244): 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: 36485311 bytes.
Dumping objects ->
{3835194} normal block at 0x000001F76ACD3150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x000001F76ACD3230, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x000001F76ACD30E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x000001F768EF32C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x000001F768EF3250, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000001F76AC2C0D0, 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) : {3835106} normal block at 0x000001F768EEE5E0, 8 bytes long.
 Data: <  Vi&#247;   > 00 00 56 69 F7 01 00 00 
{3833957} normal block at 0x000001F768EEE310, 8 bytes long.
 Data: <&#224;&#159;&#241;h&#247;   > E0 9F F1 68 F7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F768EE6940, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F768EE7BF0, 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 0x000001F768EF3FF0, 16 bytes long.
 Data: <&#200;M&#239;h&#247;           > C8 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F768EF3BE0, 16 bytes long.
 Data: <&#160;M&#239;h&#247;           > A0 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F768EEF080, 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 0x000001F768EF3D70, 16 bytes long.
 Data: <xM&#239;h&#247;           > 78 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F768EF4590, 16 bytes long.
 Data: <PM&#239;h&#247;           > 50 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F768EF4180, 16 bytes long.
 Data: <(M&#239;h&#247;           > 28 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F768EF3E10, 16 bytes long.
 Data: < M&#239;h&#247;           > 00 4D EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F768EF2E60, 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 0x000001F768EF3F50, 16 bytes long.
 Data: < &#255;&#237;h&#247;           > 18 FF ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F768EEF620, 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 0x000001F768EF3EB0, 16 bytes long.
 Data: <&#240;&#254;&#237;h&#247;           > F0 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F768EF4630, 16 bytes long.
 Data: <&#200;&#254;&#237;h&#247;           > C8 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F768EF3A00, 16 bytes long.
 Data: <&#160;&#254;&#237;h&#247;           > A0 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F768EF4130, 16 bytes long.
 Data: <x&#254;&#237;h&#247;           > 78 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F768EF3780, 16 bytes long.
 Data: <P&#254;&#237;h&#247;           > 50 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F768EF4040, 16 bytes long.
 Data: <(&#254;&#237;h&#247;           > 28 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F768EEF680, 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 0x000001F768EF4270, 16 bytes long.
 Data: < &#254;&#237;h&#247;           > 00 FE ED 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F768EDFE00, 320 bytes long.
 Data: <pB&#239;h&#247;    &#246;&#238;h&#247;   > 70 42 EF 68 F7 01 00 00 80 F6 EE 68 F7 01 00 00 
{274} normal block at 0x000001F768EF4360, 16 bytes long.
 Data: <&#224;L&#239;h&#247;           > E0 4C EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F768EF4540, 16 bytes long.
 Data: <&#184;L&#239;h&#247;           > B8 4C EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F768EEF800, 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 0x000001F768EF3B40, 16 bytes long.
 Data: < L&#239;h&#247;           > 90 4C EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F768EEF500, 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 0x000001F768EF40E0, 16 bytes long.
 Data: <&#216;K&#239;h&#247;           > D8 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F768EF44F0, 16 bytes long.
 Data: <&#176;K&#239;h&#247;           > B0 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F768EF3A50, 16 bytes long.
 Data: < K&#239;h&#247;           > 88 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F768EF37D0, 16 bytes long.
 Data: <`K&#239;h&#247;           > 60 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F768EF44A0, 16 bytes long.
 Data: <8K&#239;h&#247;           > 38 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F768EF3FA0, 16 bytes long.
 Data: < K&#239;h&#247;           > 10 4B EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F768EF45E0, 16 bytes long.
 Data: <03&#239;h&#247;           > 30 33 EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F768EF3330, 40 bytes long.
 Data: <&#224;E&#239;h&#247;   &#208;&#192;&#194;j&#247;   > E0 45 EF 68 F7 01 00 00 D0 C0 C2 6A F7 01 00 00 
{260} normal block at 0x000001F768EF4090, 16 bytes long.
 Data: <&#240;J&#239;h&#247;           > F0 4A EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F768EF3F00, 16 bytes long.
 Data: <&#200;J&#239;h&#247;           > C8 4A EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F768EEEFC0, 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 0x000001F768EF3B90, 16 bytes long.
 Data: <&#160;J&#239;h&#247;           > A0 4A EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F768EF4AA0, 992 bytes long.
 Data: < ;&#239;h&#247;   &#192;&#239;&#238;h&#247;   > 90 3B EF 68 F7 01 00 00 C0 EF EE 68 F7 01 00 00 
{92} normal block at 0x000001F768EEF860, 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 0x000001F768EEDF00, 16 bytes long.
 Data: <@/&#239;h&#247;           > 40 2F EF 68 F7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F768EF2F40, 40 bytes long.
 Data: < &#223;&#238;h&#247;   `&#248;&#238;h&#247;   > 00 DF EE 68 F7 01 00 00 60 F8 EE 68 F7 01 00 00 
{69} normal block at 0x000001F768EEDEB0, 16 bytes long.
 Data: < &#234;&#226;&#170;&#246;           > 80 EA E2 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F768EEE3B0, 16 bytes long.
 Data: <@&#233;&#226;&#170;&#246;           > 40 E9 E2 AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F768EEE630, 16 bytes long.
 Data: <&#248;W&#223;&#170;&#246;           > F8 57 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F768EEE1D0, 16 bytes long.
 Data: <&#216;W&#223;&#170;&#246;           > D8 57 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F768EEEA40, 16 bytes long.
 Data: <P &#223;&#170;&#246;           > 50 04 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F768EEE450, 16 bytes long.
 Data: <0 &#223;&#170;&#246;           > 30 04 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F768EEE180, 16 bytes long.
 Data: <&#224; &#223;&#170;&#246;           > E0 02 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F768EEE4F0, 16 bytes long.
 Data: <  &#223;&#170;&#246;           > 10 04 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F768EEE130, 16 bytes long.
 Data: <p &#223;&#170;&#246;           > 70 04 DF AA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F768EEE040, 16 bytes long.
 Data: < &#192;&#221;&#170;&#246;           > 18 C0 DD AA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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