Task 38695816

Name test_912-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7814_0
Workunit 31636492
Created 31 Oct 2026, 15:45:29 UTC
Sent 31 Oct 2026, 15:45:30 UTC
Report deadline 5 Nov 2026, 15:45:30 UTC
Received 31 Oct 2026, 16:40:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647868
Run time 49 min 47 sec
CPU time 47 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.22 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>
02:47:30 (34892): wrapper (7.9.26016): starting
02:47:30 (34892): 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
02:47:32 (34892): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:47:32 (34892): 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 'D:\boinc\slots\9\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 'D:\boinc\slots\9\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
03:36:11 (34892): C:/Windows/system32/cmd.exe exited; CPU time 2825.171875
03:36:11 (34892): 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: 66587445 bytes.
Dumping objects ->
{3835253} normal block at 0x000002A62A619C00, 48 bytes long.
 Data: <PATH=D:\boinc\sl> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835242} normal block at 0x000002A62D161E40, 32 bytes long.
 Data: <HOME=D:\boinc\sl> 48 4F 4D 45 3D 44 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835231} normal block at 0x000002A62D161BA0, 32 bytes long.
 Data: <TMP=D:\boinc\slo> 54 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835220} normal block at 0x000002A62D161B40, 32 bytes long.
 Data: <TEMP=D:\boinc\sl> 54 45 4D 50 3D 44 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835209} normal block at 0x000002A62D1624A0, 32 bytes long.
 Data: <TMPDIR=D:\boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 62 6F 69 6E 63 5C 
{3835178} normal block at 0x000002A62A61A140, 48 bytes long.
 Data: <PATH=D:\boinc\sl> 50 41 54 48 3D 44 3A 5C 62 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835165} normal block at 0x000002A62A5ECC30, 8 bytes long.
 Data: <  &#145;*&#166;   > 00 00 91 2A A6 02 00 00 
{3833961} normal block at 0x000002A62A5ECB90, 8 bytes long.
 Data: <&#240;&#211;]*&#166;   > F0 D3 5D 2A A6 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002A62A5E2030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A62A5E8DF0, 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 0x000002A62A5F6C00, 16 bytes long.
 Data: <&#216;u_*&#166;           > D8 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A62A5F6E80, 16 bytes long.
 Data: <&#176;u_*&#166;           > B0 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A62A5F0DF0, 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 0x000002A62A5F64D0, 16 bytes long.
 Data: < u_*&#166;           > 88 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A62A5F6660, 16 bytes long.
 Data: <`u_*&#166;           > 60 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A62A5F6CA0, 16 bytes long.
 Data: <8u_*&#166;           > 38 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A62A5F6BB0, 16 bytes long.
 Data: < u_*&#166;           > 10 75 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A62A5F4DB0, 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 0x000002A62A5F6B60, 16 bytes long.
 Data: <&#232;&#176;^*&#166;           > E8 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A62A5F0A90, 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 0x000002A62A5F70B0, 16 bytes long.
 Data: <&#192;&#176;^*&#166;           > C0 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A62A5F6890, 16 bytes long.
 Data: < &#176;^*&#166;           > 98 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A62A5F6B10, 16 bytes long.
 Data: <p&#176;^*&#166;           > 70 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A62A5F6DE0, 16 bytes long.
 Data: <H&#176;^*&#166;           > 48 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A62A5F6F70, 16 bytes long.
 Data: < &#176;^*&#166;           > 20 B0 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A62A5F6CF0, 16 bytes long.
 Data: <&#248;&#175;^*&#166;           > F8 AF 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A62A5F1150, 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 0x000002A62A5F6AC0, 16 bytes long.
 Data: <&#208;&#175;^*&#166;           > D0 AF 5E 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A62A5EAFD0, 320 bytes long.
 Data: <&#192;j_*&#166;   P _*&#166;   > C0 6A 5F 2A A6 02 00 00 50 11 5F 2A A6 02 00 00 
{276} normal block at 0x000002A62A5F6FC0, 16 bytes long.
 Data: <&#240;t_*&#166;           > F0 74 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A62A5F65C0, 16 bytes long.
 Data: <&#200;t_*&#166;           > C8 74 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A62A5F0550, 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 0x000002A62A5F6700, 16 bytes long.
 Data: <&#160;t_*&#166;           > A0 74 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A62A5F0C70, 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 0x000002A62A5F6A70, 16 bytes long.
 Data: <&#232;s_*&#166;           > E8 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A62A5F7100, 16 bytes long.
 Data: <&#192;s_*&#166;           > C0 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A62A5F6C50, 16 bytes long.
 Data: < s_*&#166;           > 98 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A62A5F6A20, 16 bytes long.
 Data: <ps_*&#166;           > 70 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A62A5F6570, 16 bytes long.
 Data: <Hs_*&#166;           > 48 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A62A5F68E0, 16 bytes long.
 Data: < s_*&#166;           > 20 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A62A5F6480, 16 bytes long.
 Data: <PP_*&#166;           > 50 50 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A62A5F5050, 40 bytes long.
 Data: < d_*&#166;   @&#161;a*&#166;   > 80 64 5F 2A A6 02 00 00 40 A1 61 2A A6 02 00 00 
{262} normal block at 0x000002A62A5F7060, 16 bytes long.
 Data: < s_*&#166;           > 00 73 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A62A5F6430, 16 bytes long.
 Data: <&#216;r_*&#166;           > D8 72 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A62A5F0850, 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 0x000002A62A5F6840, 16 bytes long.
 Data: <&#176;r_*&#166;           > B0 72 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A62A5F72B0, 992 bytes long.
 Data: <@h_*&#166;   P _*&#166;   > 40 68 5F 2A A6 02 00 00 50 08 5F 2A A6 02 00 00 
{94} normal block at 0x000002A62A5F0490, 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 0x000002A62A5ECB40, 16 bytes long.
 Data: <&#160;Q_*&#166;           > A0 51 5F 2A A6 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002A62A5F51A0, 40 bytes long.
 Data: <@&#203;^*&#166;     _*&#166;   > 40 CB 5E 2A A6 02 00 00 90 04 5F 2A A6 02 00 00 
{71} normal block at 0x000002A62A5EC8C0, 16 bytes long.
 Data: < &#234;&#222;m&#247;           > 80 EA DE 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A62A5EC5A0, 16 bytes long.
 Data: <@&#233;&#222;m&#247;           > 40 E9 DE 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A62A5EC870, 16 bytes long.
 Data: <&#248;W&#219;m&#247;           > F8 57 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A62A5ECBE0, 16 bytes long.
 Data: <&#216;W&#219;m&#247;           > D8 57 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A62A5EC4B0, 16 bytes long.
 Data: <P &#219;m&#247;           > 50 04 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A62A5ECE10, 16 bytes long.
 Data: <0 &#219;m&#247;           > 30 04 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A62A5ECF50, 16 bytes long.
 Data: <&#224; &#219;m&#247;           > E0 02 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A62A5EC370, 16 bytes long.
 Data: <  &#219;m&#247;           > 10 04 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A62A5EC820, 16 bytes long.
 Data: <p &#219;m&#247;           > 70 04 DB 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A62A5EC7D0, 16 bytes long.
 Data: < &#192;&#217;m&#247;           > 18 C0 D9 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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