Task 38696475

Name test_873-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND6637_0
Workunit 31637106
Created 1 Nov 2026, 0:18:51 UTC
Sent 1 Nov 2026, 0:18:59 UTC
Report deadline 6 Nov 2026, 0:18:59 UTC
Received 1 Nov 2026, 2:54:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 50 min 10 sec
CPU time 48 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.84 MB
Peak swap size 12.97 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:47:54 (9644): wrapper (7.9.26016): starting
02:47:54 (9644): 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
02:47:56 (9644): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:47:56 (9644): 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:\boinc\slots\1\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:\boinc\slots\1\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
03:36:00 (9644): C:/Windows/system32/cmd.exe exited; CPU time 2880.734375
03:36:00 (9644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 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: 48633229 bytes.
Dumping objects ->
{3835301} normal block at 0x000002A49B0742E0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x000002A49CD61330, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x000002A49CD60790, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x000002A49CD61210, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x000002A49CD607F0, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x000002A49B074510, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x000002A49CD2DA10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835212} normal block at 0x000002A49B06EDC0, 8 bytes long.
 Data: <   &#155;&#164;   > 00 00 02 9B A4 02 00 00 
{3834573} normal block at 0x000002A49CD2E040, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000002A49B06F090, 8 bytes long.
 Data: < &#221; &#155;&#164;   > 90 DD 05 9B A4 02 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000002A49B065A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A49B0667A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000002A49B075650, 16 bytes long.
 Data: <&#184;J &#155;&#164;           > B8 4A 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A49B0756F0, 16 bytes long.
 Data: < J &#155;&#164;           > 90 4A 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A49B06F8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000002A49B0752E0, 16 bytes long.
 Data: <hJ &#155;&#164;           > 68 4A 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A49B075880, 16 bytes long.
 Data: <@J &#155;&#164;           > 40 4A 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A49B0750B0, 16 bytes long.
 Data: < J &#155;&#164;           > 18 4A 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A49B074E80, 16 bytes long.
 Data: <&#240;I &#155;&#164;           > F0 49 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A49B074270, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000002A49B074E30, 16 bytes long.
 Data: < &#148; &#155;&#164;           > 88 94 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A49B06F9B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000002A49B075560, 16 bytes long.
 Data: <`&#148; &#155;&#164;           > 60 94 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A49B075790, 16 bytes long.
 Data: <8&#148; &#155;&#164;           > 38 94 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A49B074ED0, 16 bytes long.
 Data: < &#148; &#155;&#164;           > 10 94 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A49B075A60, 16 bytes long.
 Data: <&#232;&#147; &#155;&#164;           > E8 93 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A49B0758D0, 16 bytes long.
 Data: <&#192;&#147; &#155;&#164;           > C0 93 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A49B074CF0, 16 bytes long.
 Data: < &#147; &#155;&#164;           > 98 93 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A49B070130, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x000002A49B074F20, 16 bytes long.
 Data: <p&#147; &#155;&#164;           > 70 93 06 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A49B069370, 320 bytes long.
 Data: < O &#155;&#164;   0  &#155;&#164;   > 20 4F 07 9B A4 02 00 00 30 01 07 9B A4 02 00 00 
{266} normal block at 0x000002A49B075740, 16 bytes long.
 Data: <&#208;I &#155;&#164;           > D0 49 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A49B074FC0, 16 bytes long.
 Data: <&#168;I &#155;&#164;           > A8 49 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A49B06FBF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000002A49B075060, 16 bytes long.
 Data: < I &#155;&#164;           > 80 49 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A49B070190, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000002A49B075B00, 16 bytes long.
 Data: <&#200;H &#155;&#164;           > C8 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A49B074C00, 16 bytes long.
 Data: <&#160;H &#155;&#164;           > A0 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A49B075920, 16 bytes long.
 Data: <xH &#155;&#164;           > 78 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A49B074DE0, 16 bytes long.
 Data: <PH &#155;&#164;           > 50 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002A49B06EA50, 16 bytes long.
 Data: <(H &#155;&#164;           > 28 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A49B06EA00, 16 bytes long.
 Data: < H &#155;&#164;           > 00 48 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002A49B06F450, 16 bytes long.
 Data: <`F &#155;&#164;           > 60 46 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002A49B074660, 40 bytes long.
 Data: <P&#244; &#155;&#164;    E &#155;&#164;   > 50 F4 06 9B A4 02 00 00 10 45 07 9B A4 02 00 00 
{252} normal block at 0x000002A49B06F0E0, 16 bytes long.
 Data: <&#224;G &#155;&#164;           > E0 47 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002A49B06EC30, 16 bytes long.
 Data: <&#184;G &#155;&#164;           > B8 47 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002A49B06F890, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000002A49B06F400, 16 bytes long.
 Data: < G &#155;&#164;           > 90 47 07 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000002A49B074790, 992 bytes long.
 Data: < &#244; &#155;&#164;    &#248; &#155;&#164;   > 00 F4 06 9B A4 02 00 00 90 F8 06 9B A4 02 00 00 
{84} normal block at 0x000002A49B070670, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000002A49B06F1D0, 16 bytes long.
 Data: <&#160;&#196; &#155;&#164;           > A0 C4 05 9B A4 02 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002A49B05C4A0, 40 bytes long.
 Data: <&#208;&#241; &#155;&#164;   p  &#155;&#164;   > D0 F1 06 9B A4 02 00 00 70 06 07 9B A4 02 00 00 
{61} normal block at 0x000002A49B06F180, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A49B06EB90, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002A49B06F360, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002A49B06EC80, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002A49B06ED20, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002A49B06EFA0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002A49B06F630, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002A49B06F4A0, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002A49B06E910, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002A49B06F040, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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