Task 38662091

Name test_661-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND9669_2
Workunit 31603384
Created 24 Oct 2026, 17:35:39 UTC
Sent 24 Oct 2026, 17:35:58 UTC
Report deadline 29 Oct 2026, 17:35:58 UTC
Received 24 Oct 2026, 19:12:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 34 min 53 sec
CPU time 29 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.74 MB
Peak swap size 3.80 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:47:24 (4596): wrapper (7.9.26016): starting
19:47:24 (4596): 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
19:47:26 (4596): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:47:26 (4596): 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 'E:\BOINC\slots\8\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 'E:\BOINC\slots\8\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
20:21:06 (4596): C:/Windows/system32/cmd.exe exited; CPU time 1772.890625
20:21:06 (4596): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 33182813 bytes.
Dumping objects ->
{3835522} normal block at 0x000002C89DB26B50, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x000002C89F5F5700, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x000002C89F5F5400, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x000002C89F5F52E0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x000002C89F5F56A0, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000002C89DB26530, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000002C89DAF7120, 8 bytes long.
 Data: <  &#172; &#200;   > 00 00 AC 9D C8 02 00 00 
{3833955} normal block at 0x000002C89DAF6F40, 8 bytes long.
 Data: < ?&#184; &#200;   > 00 3F B8 9D C8 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002C89DB015C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C89DAF7C40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000002C89DB031E0, 16 bytes long.
 Data: <&#248;;&#176; &#200;           > F8 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C89DB03190, 16 bytes long.
 Data: <&#208;;&#176; &#200;           > D0 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C89DAFBB20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000002C89DB02920, 16 bytes long.
 Data: <&#168;;&#176; &#200;           > A8 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C89DB03140, 16 bytes long.
 Data: < ;&#176; &#200;           > 80 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002C89DB028D0, 16 bytes long.
 Data: <X;&#176; &#200;           > 58 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C89DB03370, 16 bytes long.
 Data: <0;&#176; &#200;           > 30 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C89DAFD5A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000002C89DB032D0, 16 bytes long.
 Data: <&#168;&#189;&#174; &#200;           > A8 BD AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C89DAFBDC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000002C89DB03000, 16 bytes long.
 Data: < &#189;&#174; &#200;           > 80 BD AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C89DB02880, 16 bytes long.
 Data: <X&#189;&#174; &#200;           > 58 BD AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C89DB02830, 16 bytes long.
 Data: <0&#189;&#174; &#200;           > 30 BD AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C89DB02FB0, 16 bytes long.
 Data: < &#189;&#174; &#200;           > 08 BD AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C89DB03050, 16 bytes long.
 Data: <&#224;&#188;&#174; &#200;           > E0 BC AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C89DB02F10, 16 bytes long.
 Data: <&#184;&#188;&#174; &#200;           > B8 BC AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C89DAFBAC0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x000002C89DB02EC0, 16 bytes long.
 Data: < &#188;&#174; &#200;           > 90 BC AE 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C89DAEBC90, 320 bytes long.
 Data: <&#192;.&#176; &#200;   &#192;&#186;&#175; &#200;   > C0 2E B0 9D C8 02 00 00 C0 BA AF 9D C8 02 00 00 
{273} normal block at 0x000002C89DB02C90, 16 bytes long.
 Data: < ;&#176; &#200;           > 10 3B B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C89DB02600, 16 bytes long.
 Data: <&#232;:&#176; &#200;           > E8 3A B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002C89DAFBC40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000002C89DB02560, 16 bytes long.
 Data: <&#192;:&#176; &#200;           > C0 3A B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C89DAFB5E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000002C89DB02F60, 16 bytes long.
 Data: < :&#176; &#200;           > 08 3A B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C89DB02510, 16 bytes long.
 Data: <&#224;9&#176; &#200;           > E0 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C89DB02E70, 16 bytes long.
 Data: <&#184;9&#176; &#200;           > B8 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C89DB02AB0, 16 bytes long.
 Data: < 9&#176; &#200;           > 90 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C89DB025B0, 16 bytes long.
 Data: <h9&#176; &#200;           > 68 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C89DB030A0, 16 bytes long.
 Data: <@9&#176; &#200;           > 40 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C89DB02A60, 16 bytes long.
 Data: <0&#213;&#175; &#200;           > 30 D5 AF 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C89DAFD530, 40 bytes long.
 Data: <`*&#176; &#200;   0e&#178; &#200;   > 60 2A B0 9D C8 02 00 00 30 65 B2 9D C8 02 00 00 
{259} normal block at 0x000002C89DB02C40, 16 bytes long.
 Data: < 9&#176; &#200;           > 20 39 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C89DB026A0, 16 bytes long.
 Data: <&#248;8&#176; &#200;           > F8 38 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002C89DAFB9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000002C89DB026F0, 16 bytes long.
 Data: <&#208;8&#176; &#200;           > D0 38 B0 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002C89DB038D0, 992 bytes long.
 Data: <&#240;&&#176; &#200;   &#160;&#185;&#175; &#200;   > F0 26 B0 9D C8 02 00 00 A0 B9 AF 9D C8 02 00 00 
{91} normal block at 0x000002C89DAFBD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000002C89DAF7210, 16 bytes long.
 Data: <p&#211;&#175; &#200;           > 70 D3 AF 9D C8 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002C89DAFD370, 40 bytes long.
 Data: < r&#175; &#200;    &#189;&#175; &#200;   > 10 72 AF 9D C8 02 00 00 00 BD AF 9D C8 02 00 00 
{68} normal block at 0x000002C89DAF6E50, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C89DAF6D10, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C89DAF6860, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C89DAF6CC0, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C89DAF73A0, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C89DAF6C70, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C89DAF6EF0, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C89DAF7440, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C89DAF7490, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C89DAF6A40, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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