Task 38696426

Name test_971-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7838_0
Workunit 31637059
Created 31 Oct 2026, 23:32:13 UTC
Sent 31 Oct 2026, 23:32:16 UTC
Report deadline 5 Nov 2026, 23:32:16 UTC
Received 1 Nov 2026, 0:04:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549691
Run time 30 min 15 sec
CPU time 29 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.80 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:33:19 (34104): wrapper (7.9.26016): starting
19:33:19 (34104): 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
19:33:20 (34104): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:33:20 (34104): 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
20:04:24 (34104): C:/Windows/system32/cmd.exe exited; CPU time 1757.421875
20:04:24 (34104): 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: 40940795 bytes.
Dumping objects ->
{3835407} normal block at 0x000002733F081560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835396} normal block at 0x000002733F081250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835385} normal block at 0x000002733F0813A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835374} normal block at 0x000002733F0811E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835363} normal block at 0x000002733F080990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835332} normal block at 0x000002733F16C250, 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) : {3835319} normal block at 0x000002733D5C6DE0, 8 bytes long.
 Data: <  Z=s   > 00 00 5A 3D 73 02 00 00 
{3833957} normal block at 0x000002733D5C7060, 8 bytes long.
 Data: <&#192;  ?s   > C0 8D 20 3F 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002733D5CD5D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002733D5B6130, 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 0x000002733D5D2580, 16 bytes long.
 Data: <&#200;C]=s           > C8 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002733D5D2F30, 16 bytes long.
 Data: <&#160;C]=s           > A0 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002733D5CE3B0, 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 0x000002733D5D2FD0, 16 bytes long.
 Data: <xC]=s           > 78 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002733D5D2170, 16 bytes long.
 Data: <PC]=s           > 50 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002733D5D2DA0, 16 bytes long.
 Data: <(C]=s           > 28 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002733D5D29E0, 16 bytes long.
 Data: < C]=s           > 00 43 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002733D5CDAF0, 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 0x000002733D5D2B20, 16 bytes long.
 Data: <&#200;`[=s           > C8 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002733D5CE350, 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 0x000002733D5D25D0, 16 bytes long.
 Data: <&#160;`[=s           > A0 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002733D5D2D50, 16 bytes long.
 Data: <x`[=s           > 78 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002733D5D2670, 16 bytes long.
 Data: <P`[=s           > 50 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002733D5D2990, 16 bytes long.
 Data: <(`[=s           > 28 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002733D5D2AD0, 16 bytes long.
 Data: < `[=s           > 00 60 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002733D5D28A0, 16 bytes long.
 Data: <&#216;_[=s           > D8 5F 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002733D5CE6B0, 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 0x000002733D5D2BC0, 16 bytes long.
 Data: <&#176;_[=s           > B0 5F 5B 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002733D5B5FB0, 320 bytes long.
 Data: <&#192;+]=s   &#176;&#230;\=s   > C0 2B 5D 3D 73 02 00 00 B0 E6 5C 3D 73 02 00 00 
{274} normal block at 0x000002733D5D2800, 16 bytes long.
 Data: <&#224;B]=s           > E0 42 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002733D5D2EE0, 16 bytes long.
 Data: <&#184;B]=s           > B8 42 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002733D5CED10, 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 0x000002733D5D2A30, 16 bytes long.
 Data: < B]=s           > 90 42 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002733D5CEA10, 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 0x000002733D5D2940, 16 bytes long.
 Data: <&#216;A]=s           > D8 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002733D5D2530, 16 bytes long.
 Data: <&#176;A]=s           > B0 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002733D5D24E0, 16 bytes long.
 Data: < A]=s           > 88 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002733D5D2D00, 16 bytes long.
 Data: <`A]=s           > 60 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002733D5D2760, 16 bytes long.
 Data: <8A]=s           > 38 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002733D5D2620, 16 bytes long.
 Data: < A]=s           > 10 41 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002733D5D2490, 16 bytes long.
 Data: < &#218;\=s           > 80 DA 5C 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002733D5CDA80, 40 bytes long.
 Data: < $]=s   P&#194; ?s   > 90 24 5D 3D 73 02 00 00 50 C2 16 3F 73 02 00 00 
{260} normal block at 0x000002733D5D2440, 16 bytes long.
 Data: <&#240;@]=s           > F0 40 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002733D5D2E90, 16 bytes long.
 Data: <&#200;@]=s           > C8 40 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002733D5CE2F0, 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 0x000002733D5D23F0, 16 bytes long.
 Data: <&#160;@]=s           > A0 40 5D 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002733D5D40A0, 992 bytes long.
 Data: <&#240;#]=s   &#240;&#226;\=s   > F0 23 5D 3D 73 02 00 00 F0 E2 5C 3D 73 02 00 00 
{92} normal block at 0x000002733D5CEAD0, 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 0x000002733D5C77E0, 16 bytes long.
 Data: <&#192;&#216;\=s           > C0 D8 5C 3D 73 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002733D5CD8C0, 40 bytes long.
 Data: <&#224;w\=s   &#208;&#234;\=s   > E0 77 5C 3D 73 02 00 00 D0 EA 5C 3D 73 02 00 00 
{69} normal block at 0x000002733D5C6BB0, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002733D5C6D90, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002733D5C78D0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002733D5C7150, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002733D5C75B0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002733D5C76F0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002733D5C74C0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002733D5C76A0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002733D5C7100, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002733D5C7010, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 17 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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