Task 38687518

Name test_77-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4715_0
Workunit 31628904
Created 28 Oct 2026, 8:16:32 UTC
Sent 28 Oct 2026, 8:16:36 UTC
Report deadline 2 Nov 2026, 8:16:36 UTC
Received 28 Oct 2026, 9:16:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 20 min 17 sec
CPU time 18 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.54 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:56:10 (23472): wrapper (7.9.26016): starting
03:56:10 (23472): 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
03:56:11 (23472): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:56:11 (23472): 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\11\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\11\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
04:15:18 (23472): C:/Windows/system32/cmd.exe exited; CPU time 1124.234375
04:15:18 (23472): 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: 21837973 bytes.
Dumping objects ->
{3835250} normal block at 0x0000024D33F9D0A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000024D322542C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000024D32254100, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000024D32254090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000024D32254790, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000024D33FE50B0, 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) : {3835162} normal block at 0x0000024D3224E8D0, 8 bytes long.
 Data: <   2M   > 00 00 1F 32 4D 02 00 00 
{3833961} normal block at 0x0000024D3224E3D0, 8 bytes long.
 Data: < &#235;22M   > 80 EB 32 32 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024D322503F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024D3223C2E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000024D32255350, 16 bytes long.
 Data: <8a%2M           > 38 61 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024D32255120, 16 bytes long.
 Data: < a%2M           > 10 61 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024D3224FA00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000024D322551C0, 16 bytes long.
 Data: <&#232;`%2M           > E8 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024D32255210, 16 bytes long.
 Data: <&#192;`%2M           > C0 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024D322554E0, 16 bytes long.
 Data: < `%2M           > 98 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024D32255D00, 16 bytes long.
 Data: <p`%2M           > 70 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024D322543A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000024D322553F0, 16 bytes long.
 Data: <&#184;&#223;$2M           > B8 DF 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024D3224F880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000024D32255AD0, 16 bytes long.
 Data: < &#223;$2M           > 90 DF 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024D32255080, 16 bytes long.
 Data: <h&#223;$2M           > 68 DF 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024D322550D0, 16 bytes long.
 Data: <@&#223;$2M           > 40 DF 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024D32254E50, 16 bytes long.
 Data: < &#223;$2M           > 18 DF 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024D322552B0, 16 bytes long.
 Data: <&#240;&#222;$2M           > F0 DE 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024D322556C0, 16 bytes long.
 Data: <&#200;&#222;$2M           > C8 DE 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024D3224FD00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000024D32255030, 16 bytes long.
 Data: <&#160;&#222;$2M           > A0 DE 24 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024D3224DEA0, 320 bytes long.
 Data: <0P%2M    &#253;$2M   > 30 50 25 32 4D 02 00 00 00 FD 24 32 4D 02 00 00 
{276} normal block at 0x0000024D32255800, 16 bytes long.
 Data: <P`%2M           > 50 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024D32255530, 16 bytes long.
 Data: <(`%2M           > 28 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024D3224FFA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000024D322555D0, 16 bytes long.
 Data: < `%2M           > 00 60 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024D32250060, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000024D32254F40, 16 bytes long.
 Data: <H_%2M           > 48 5F 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024D32255B20, 16 bytes long.
 Data: < _%2M           > 20 5F 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024D32255490, 16 bytes long.
 Data: <&#248;^%2M           > F8 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024D32254FE0, 16 bytes long.
 Data: <&#208;^%2M           > D0 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024D32255850, 16 bytes long.
 Data: <&#168;^%2M           > A8 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024D322558A0, 16 bytes long.
 Data: < ^%2M           > 80 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024D32254EA0, 16 bytes long.
 Data: <0C%2M           > 30 43 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024D32254330, 40 bytes long.
 Data: <&#160;N%2M   &#176;P&#254;3M   > A0 4E 25 32 4D 02 00 00 B0 50 FE 33 4D 02 00 00 
{262} normal block at 0x0000024D32255990, 16 bytes long.
 Data: <`^%2M           > 60 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024D32255260, 16 bytes long.
 Data: <8^%2M           > 38 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024D3224FD60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000024D32255620, 16 bytes long.
 Data: < ^%2M           > 10 5E 25 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024D32255E10, 992 bytes long.
 Data: < V%2M   `&#253;$2M   > 20 56 25 32 4D 02 00 00 60 FD 24 32 4D 02 00 00 
{94} normal block at 0x0000024D32250000, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000024D3224E920, 16 bytes long.
 Data: < &#249;#2M           > 10 F9 23 32 4D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024D3223F910, 40 bytes long.
 Data: < &#233;$2M     %2M   > 20 E9 24 32 4D 02 00 00 00 00 25 32 4D 02 00 00 
{71} normal block at 0x0000024D3224EE70, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024D3224EB00, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024D3224E5B0, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024D3224E2E0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024D3224E290, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024D3224E600, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024D3224F000, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024D3224EEC0, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024D3224E240, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024D3224EF60, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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